Content for NMR-STAR saveframe, "Npeaks"
save_Npeaks
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode Npeaks
_Spectral_peak_list.Entry_ID 16807
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
12 120.322 8.363 8.144 1 U 6.110e+02 0.00e+00 e 0 41 31 42 0 #N 4, HN 3, HN 4,
13 120.322 4.538 8.144 1 U 1.032e+04 0.00e+00 e 0 41 33 42 0 #N 4, HA 3, HN 4,
14 120.322 2.589 8.144 1 U 1.000e+02 0.00e+00 e 0 41 35 42 0 #N 4, HB2 3, HN 4,
15 120.322 2.579 8.144 1 U 1.000e+02 0.00e+00 e 0 41 36 42 0 #N 4, HB3 3, HN 4,
17 117.022 4.306 8.266 1 U 1.966e+04 0.00e+00 e 0 67 44 68 0 #N 5, HA 4, HN 5,
18 117.022 1.762 8.266 1 U 2.561e+03 0.00e+00 e 0 67 46 68 0 #N 5, HB2 4, HN 5,
19 117.022 1.710 8.266 1 U 2.088e+03 0.00e+00 e 0 67 47 68 0 #N 5, HB3 4, HN 5,
20 117.022 1.614 8.266 1 U 5.000e+02 0.00e+00 e 0 67 50 68 0 #N 5, HG2 4, HN 5,
21 117.022 1.607 8.266 1 U 5.000e+02 0.00e+00 e 0 67 51 68 0 #N 5, HG3 4, HN 5,
42 123.520 8.450 9.350 1 U 5.860e+02 0.00e+00 e 0 129 119 130 0 #N 9, HN 8, HN 9,
43 123.520 5.146 9.350 1 U 1.000e+02 0.00e+00 e 0 129 121 130 0 #N 9, HA 8, HN 9,
45 123.520 2.252 9.350 1 U 7.030e+02 0.00e+00 e 0 129 124 130 0 #N 9, HB3 8, HN 9,
47 127.987 5.145 8.876 1 U 1.128e+04 0.00e+00 e 0 147 132 148 0 #N 10, HA 9, HN 10,
48 127.987 1.542 8.876 1 U 1.325e+03 0.00e+00 e 0 147 134 148 0 #N 10, HB 9, HN 10,
49 127.987 0.600 8.876 1 U 2.650e+03 0.00e+00 e 0 147 135 148 0 #N 10, QG1 9, HN 10,
51 110.514 8.876 8.829 1 U 1.926e+03 0.00e+00 e 0 170 148 171 0 #N 11, HN 10, HN 11,
53 110.514 3.018 8.829 1 U 1.143e+03 0.00e+00 e 0 170 152 171 0 #N 11, HB2 10, HN 11,
83 123.924 3.872 8.994 1 U 7.566e+03 0.00e+00 e 0 252 237 253 0 #N 17, HA 16, HN 17,
85 123.924 0.888 8.994 1 U 3.196e+03 0.00e+00 e 0 252 240 253 0 #N 17, QG1 16, HN 17,
86 123.924 0.768 8.994 1 U 1.643e+03 0.00e+00 e 0 252 241 253 0 #N 17, QG2 16, HN 17,
88 101.947 4.303 6.997 1 U -5.757e+03 0.00e+00 e 0 266 255 267 0 #N 18, HA 17, HN 18,
89 101.947 2.968 6.997 1 U -1.738e+03 0.00e+00 e 0 266 257 267 0 #N 18, HB2 17, HN 18,
90 101.947 2.560 6.997 1 U -9.780e+02 0.00e+00 e 0 266 258 267 0 #N 18, HB3 17, HN 18,
91 101.947 7.575 6.997 1 U -1.264e+03 0.00e+00 e 0 266 262 267 0 #N 18, HD21 17, HN 18,
93 119.052 6.997 7.549 1 U 6.781e+03 0.00e+00 e 0 273 267 274 0 #N 19, HN 18, HN 19,
94 119.052 4.132 7.549 1 U 1.151e+03 0.00e+00 e 0 273 269 274 0 #N 19, HA1 18, HN 19,
95 119.052 3.824 7.549 1 U 4.138e+03 0.00e+00 e 0 273 270 274 0 #N 19, HA2 18, HN 19,
97 117.014 4.783 8.487 1 U 2.444e+04 0.00e+00 e 0 291 276 292 0 #N 20, HA 19, HN 20,
98 117.014 1.853 8.487 1 U 5.660e+03 0.00e+00 e 0 291 278 292 0 #N 20, HB2 19, HN 20,
99 117.014 1.751 8.487 1 U 1.610e+03 0.00e+00 e 0 291 279 292 0 #N 20, HB3 19, HN 20,
100 117.014 2.201 8.487 1 U 1.073e+03 0.00e+00 e 0 291 282 292 0 #N 20, HG2 19, HN 20,
101 117.014 2.056 8.487 1 U 1.236e+03 0.00e+00 e 0 291 283 292 0 #N 20, HG3 19, HN 20,
104 120.268 8.487 8.885 1 U 1.000e+02 0.00e+00 e 0 314 292 315 0 #N 21, HN 20, HN 21,
105 120.268 5.840 8.885 1 U 1.281e+04 0.00e+00 e 0 314 294 315 0 #N 21, HA 20, HN 21,
106 120.268 3.255 8.885 1 U 7.288e+03 0.00e+00 e 0 314 296 315 0 #N 21, HB2 20, HN 21,
107 120.268 2.866 8.885 1 U 3.111e+03 0.00e+00 e 0 314 297 315 0 #N 21, HB3 20, HN 21,
111 120.268 6.768 8.885 1 U 2.194e+03 0.00e+00 e 0 314 308 315 0 #N 21, QD 20, HN 21,
112 118.225 8.885 8.523 1 U 5.220e+02 0.00e+00 e 0 324 315 325 0 #N 22, HN 21, HN 22,
113 118.225 5.132 8.523 1 U 1.300e+04 0.00e+00 e 0 324 317 325 0 #N 22, HA 21, HN 22,
114 118.225 1.212 8.523 1 U 2.006e+04 0.00e+00 e 0 324 318 325 0 #N 22, QB 21, HN 22,
116 115.797 5.698 8.398 1 U 1.417e+04 0.00e+00 e 0 348 327 349 0 #N 23, HA 22, HN 23,
117 115.797 3.598 8.398 1 U 1.000e+02 0.00e+00 e 0 348 329 349 0 #N 23, HB2 22, HN 23,
118 115.797 3.582 8.398 1 U 1.000e+02 0.00e+00 e 0 348 330 349 0 #N 23, HB3 22, HN 23,
125 113.764 8.398 8.631 1 U 1.891e+03 0.00e+00 e 0 358 349 359 0 #N 24, HN 23, HN 24,
126 113.764 5.128 8.631 1 U 2.113e+04 0.00e+00 e 0 358 351 359 0 #N 24, HA 23, HN 24,
127 113.764 1.320 8.631 1 U 1.170e+04 0.00e+00 e 0 358 352 359 0 #N 24, QB 23, HN 24,
129 119.048 6.231 8.989 1 U 1.439e+04 0.00e+00 e 0 381 361 382 0 #N 25, HA 24, HN 25,
130 119.048 3.289 8.989 1 U 4.890e+03 0.00e+00 e 0 381 363 382 0 #N 25, HB2 24, HN 25,
131 119.048 2.949 8.989 1 U 1.932e+03 0.00e+00 e 0 381 364 382 0 #N 25, HB3 24, HN 25,
132 119.048 7.241 8.989 1 U 1.090e+03 0.00e+00 e 0 381 368 382 0 #N 25, QD 24, HN 25,
137 125.158 5.452 10.179 1 U 1.000e+02 0.00e+00 e 0 391 384 392 0 #N 26, HA 25, HN 26,
138 125.158 1.496 10.179 1 U 2.023e+03 0.00e+00 e 0 391 385 392 0 #N 26, QB 25, HN 26,
139 126.960 10.179 10.273 1 U 9.680e+02 0.00e+00 e 0 414 392 415 0 #N 27, HN 26, HN 27,
148 126.383 5.115 8.571 1 U 2.569e+04 0.00e+00 e 0 432 417 433 0 #N 28, HA 27, HN 28,
150 126.383 0.363 8.571 1 U 2.317e+03 0.00e+00 e 0 432 420 433 0 #N 28, QG1 27, HN 28,
151 126.383 0.186 8.571 1 U 1.050e+04 0.00e+00 e 0 432 421 433 0 #N 28, QG2 27, HN 28,
153 126.786 4.509 9.502 1 U 4.624e+03 0.00e+00 e 0 457 435 458 0 #N 29, HA 28, HN 29,
157 126.786 1.098 9.502 1 U 4.480e+02 0.00e+00 e 0 457 442 458 0 #N 29, HG3 28, HN 29,
162 102.443 9.502 8.666 1 U -1.113e+03 0.00e+00 e 0 468 458 469 0 #N 30, HN 29, HN 30,
163 102.443 4.328 8.666 1 U -5.432e+03 0.00e+00 e 0 468 460 469 0 #N 30, HA 29, HN 30,
166 118.643 8.666 7.646 1 U 5.214e+03 0.00e+00 e 0 475 469 476 0 #N 31, HN 30, HN 31,
167 118.643 4.094 7.646 1 U 3.307e+03 0.00e+00 e 0 475 471 476 0 #N 31, HA1 30, HN 31,
168 118.643 3.621 7.646 1 U 2.523e+03 0.00e+00 e 0 475 472 476 0 #N 31, HA2 30, HN 31,
170 122.502 4.705 8.594 1 U 1.000e+02 0.00e+00 e 0 500 478 501 0 #N 32, HA 31, HN 32,
171 122.502 1.643 8.594 1 U 1.000e+02 0.00e+00 e 0 500 480 501 0 #N 32, HB2 31, HN 32,
172 122.502 1.636 8.594 1 U 1.000e+02 0.00e+00 e 0 500 481 501 0 #N 32, HB3 31, HN 32,
173 122.502 1.234 8.594 1 U 1.033e+03 0.00e+00 e 0 500 484 501 0 #N 32, HG2 31, HN 32,
180 127.182 4.245 9.324 1 U 8.232e+03 0.00e+00 e 0 518 503 519 0 #N 33, HA 32, HN 33,
182 127.182 0.844 9.324 1 U 4.957e+03 0.00e+00 e 0 518 506 519 0 #N 33, QG1 32, HN 33,
183 127.182 0.574 9.324 1 U 1.620e+03 0.00e+00 e 0 518 507 519 0 #N 33, QG2 32, HN 33,
184 112.547 9.324 7.176 1 U 1.511e+04 0.00e+00 e 0 535 519 536 0 #N 34, HN 33, HN 34,
185 112.547 4.261 7.176 1 U 4.096e+03 0.00e+00 e 0 535 521 536 0 #N 34, HA 33, HN 34,
186 112.547 2.680 7.176 1 U 2.891e+03 0.00e+00 e 0 535 523 536 0 #N 34, HB2 33, HN 34,
187 112.547 2.614 7.176 1 U 6.617e+03 0.00e+00 e 0 535 524 536 0 #N 34, HB3 33, HN 34,
208 116.614 8.261 6.556 1 U 8.670e+02 0.00e+00 e 0 594 585 595 0 #N 38, HN 37, HN 38,
209 116.614 3.731 6.556 1 U 2.571e+04 0.00e+00 e 0 594 587 595 0 #N 38, HA 37, HN 38,
210 116.614 0.956 6.556 1 U 1.428e+04 0.00e+00 e 0 594 588 595 0 #N 38, QB 37, HN 38,
211 113.361 6.556 8.754 1 U 5.800e+02 0.00e+00 e 0 605 595 606 0 #N 39, HN 38, HN 39,
212 113.361 4.172 8.754 1 U 1.943e+04 0.00e+00 e 0 605 597 606 0 #N 39, HA 38, HN 39,
213 113.361 2.513 8.754 1 U 3.937e+03 0.00e+00 e 0 605 599 606 0 #N 39, HB2 38, HN 39,
214 113.361 2.276 8.754 1 U 1.997e+03 0.00e+00 e 0 605 600 606 0 #N 39, HB3 38, HN 39,
215 112.141 8.754 8.694 1 U 1.702e+03 0.00e+00 e 0 623 606 624 0 #N 40, HN 39, HN 40,
216 112.141 4.565 8.694 1 U 2.182e+04 0.00e+00 e 0 623 608 624 0 #N 40, HA 39, HN 40,
217 112.141 1.817 8.694 1 U 9.882e+03 0.00e+00 e 0 623 610 624 0 #N 40, HB 39, HN 40,
218 112.141 0.768 8.694 1 U 1.821e+03 0.00e+00 e 0 623 611 624 0 #N 40, QG1 39, HN 40,
219 112.141 0.715 8.694 1 U 6.951e+03 0.00e+00 e 0 623 612 624 0 #N 40, QG2 39, HN 40,
220 117.852 8.694 8.336 1 U 4.430e+02 0.00e+00 e 0 630 624 631 0 #N 41, HN 40, HN 41,
221 117.852 4.102 8.336 1 U 1.699e+04 0.00e+00 e 0 630 626 631 0 #N 41, HA1 40, HN 41,
222 117.852 2.836 8.336 1 U 6.181e+03 0.00e+00 e 0 630 627 631 0 #N 41, HA2 40, HN 41,
223 120.260 8.336 8.094 1 U 3.185e+03 0.00e+00 e 0 655 631 656 0 #N 42, HN 41, HN 42,
224 120.260 4.580 8.094 1 U 6.583e+03 0.00e+00 e 0 655 633 656 0 #N 42, HA 41, HN 42,
229 120.260 1.645 8.094 1 U 1.000e+02 0.00e+00 e 0 655 643 656 0 #N 42, HD2 41, HN 42,
230 120.260 1.639 8.094 1 U 1.000e+02 0.00e+00 e 0 655 644 656 0 #N 42, HD3 41, HN 42,
233 119.492 4.416 8.172 1 U 9.460e+02 0.00e+00 e 0 685 672 686 0 #N 44, HA 43, HN 44,
234 119.492 2.403 8.172 1 U 5.350e+02 0.00e+00 e 0 685 674 686 0 #N 44, HB2 43, HN 44,
235 119.492 1.998 8.172 1 U 1.667e+03 0.00e+00 e 0 685 675 686 0 #N 44, HB3 43, HN 44,
236 119.492 2.100 8.172 1 U 1.708e+03 0.00e+00 e 0 685 678 686 0 #N 44, HG2 43, HN 44,
237 119.492 2.024 8.172 1 U 5.040e+02 0.00e+00 e 0 685 679 686 0 #N 44, HG3 43, HN 44,
239 119.492 3.810 8.172 1 U 3.117e+03 0.00e+00 e 0 685 682 686 0 #N 44, HD3 43, HN 44,
240 119.459 8.172 7.702 1 U 1.648e+04 0.00e+00 e 0 695 686 696 0 #N 45, HN 44, HN 45,
241 119.459 4.209 7.702 1 U 3.635e+03 0.00e+00 e 0 695 688 696 0 #N 45, HA 44, HN 45,
242 119.459 1.319 7.702 1 U 1.180e+04 0.00e+00 e 0 695 689 696 0 #N 45, QB 44, HN 45,
243 118.238 7.702 7.430 1 U 1.040e+04 0.00e+00 e 0 705 696 706 0 #N 46, HN 45, HN 46,
244 118.238 3.390 7.430 1 U 2.356e+03 0.00e+00 e 0 705 698 706 0 #N 46, HA 45, HN 46,
245 118.238 0.654 7.430 1 U 6.394e+03 0.00e+00 e 0 705 699 706 0 #N 46, QB 45, HN 46,
246 107.675 7.430 7.210 1 U 5.996e+03 0.00e+00 e 0 715 706 716 0 #N 47, HN 46, HN 47,
247 107.675 3.797 7.210 1 U 3.021e+03 0.00e+00 e 0 715 708 716 0 #N 47, HA 46, HN 47,
248 107.675 1.554 7.210 1 U 8.011e+03 0.00e+00 e 0 715 709 716 0 #N 47, QB 46, HN 47,
249 118.259 7.210 7.763 1 U 7.061e+03 0.00e+00 e 0 728 716 729 0 #N 48, HN 47, HN 48,
250 118.259 4.094 7.763 1 U 1.923e+03 0.00e+00 e 0 728 718 729 0 #N 48, HA 47, HN 48,
251 118.259 4.161 7.763 1 U 3.413e+03 0.00e+00 e 0 728 720 729 0 #N 48, HB 47, HN 48,
252 118.259 1.223 7.763 1 U 2.195e+03 0.00e+00 e 0 728 721 729 0 #N 48, QG2 47, HN 48,
264 120.677 7.485 7.030 1 U 9.424e+03 0.00e+00 e 0 804 787 805 0 #N 52, HN 51, HN 52,
265 120.677 3.600 7.030 1 U 1.745e+03 0.00e+00 e 0 804 789 805 0 #N 52, HA 51, HN 52,
266 120.677 1.930 7.030 1 U 6.978e+03 0.00e+00 e 0 804 791 805 0 #N 52, HB 51, HN 52,
267 120.677 0.833 7.030 1 U 2.622e+03 0.00e+00 e 0 804 792 805 0 #N 52, QG1 51, HN 52,
268 120.677 0.529 7.030 1 U 6.894e+03 0.00e+00 e 0 804 793 805 0 #N 52, QG2 51, HN 52,
269 99.972 7.030 7.202 1 U -2.248e+03 0.00e+00 e 0 814 805 815 0 #N 53, HN 52, HN 53,
271 99.972 0.514 7.202 1 U -3.339e+03 0.00e+00 e 0 814 808 815 0 #N 53, QB 52, HN 53,
281 120.414 8.031 7.709 1 U 7.791e+03 0.00e+00 e 0 857 837 858 0 #N 56, HN 55, HN 56,
282 120.414 3.189 7.709 1 U 1.533e+03 0.00e+00 e 0 857 839 858 0 #N 56, HA 55, HN 56,
283 120.414 1.745 7.709 1 U 8.307e+03 0.00e+00 e 0 857 841 858 0 #N 56, HB 55, HN 56,
284 120.414 -0.047 7.709 1 U 5.356e+03 0.00e+00 e 0 857 842 858 0 #N 56, QG2 55, HN 56,
285 120.414 1.611 7.709 1 U 1.000e+02 0.00e+00 e 0 857 848 858 0 #N 56, HG12 55, HN 56,
286 120.414 1.607 7.709 1 U 1.000e+02 0.00e+00 e 0 857 849 858 0 #N 56, HG13 55, HN 56,
288 117.425 7.709 8.630 1 U 4.162e+03 0.00e+00 e 0 867 858 868 0 #N 57, HN 56, HN 57,
289 117.425 3.634 8.630 1 U 4.974e+03 0.00e+00 e 0 867 860 868 0 #N 57, HA 56, HN 57,
290 117.425 1.454 8.630 1 U 1.177e+04 0.00e+00 e 0 867 861 868 0 #N 57, QB 56, HN 57,
291 117.031 8.630 7.399 1 U 7.695e+03 0.00e+00 e 0 877 868 878 0 #N 58, HN 57, HN 58,
292 117.031 4.067 7.399 1 U 1.001e+03 0.00e+00 e 0 877 870 878 0 #N 58, HA 57, HN 58,
293 117.031 2.031 7.399 1 U 8.392e+03 0.00e+00 e 0 877 871 878 0 #N 58, QB 57, HN 58,
294 117.419 7.399 8.008 1 U 7.403e+03 0.00e+00 e 0 887 878 888 0 #N 59, HN 58, HN 59,
295 117.419 3.766 8.008 1 U 1.416e+03 0.00e+00 e 0 887 880 888 0 #N 59, HA 58, HN 59,
296 117.419 1.561 8.008 1 U 9.965e+03 0.00e+00 e 0 887 881 888 0 #N 59, QB 58, HN 59,
297 117.023 8.008 8.634 1 U 5.344e+03 0.00e+00 e 0 909 888 910 0 #N 60, HN 59, HN 60,
298 117.023 3.866 8.634 1 U 1.130e+03 0.00e+00 e 0 909 890 910 0 #N 60, HA 59, HN 60,
299 117.023 1.536 8.634 1 U 5.612e+03 0.00e+00 e 0 909 892 910 0 #N 60, HB2 59, HN 60,
300 117.023 1.403 8.634 1 U 5.320e+03 0.00e+00 e 0 909 893 910 0 #N 60, HB3 59, HN 60,
301 117.023 1.389 8.634 1 U 4.093e+03 0.00e+00 e 0 909 896 910 0 #N 60, HG 59, HN 60,
302 117.023 0.593 8.634 1 U 8.750e+02 0.00e+00 e 0 909 897 910 0 #N 60, QD1 59, HN 60,
303 117.023 0.528 8.634 1 U 1.351e+03 0.00e+00 e 0 909 898 910 0 #N 60, QD2 59, HN 60,
304 124.325 8.634 8.119 1 U 5.170e+03 0.00e+00 e 0 932 910 933 0 #N 61, HN 60, HN 61,
305 124.325 3.954 8.119 1 U 3.523e+03 0.00e+00 e 0 932 912 933 0 #N 61, HA 60, HN 61,
306 124.325 2.821 8.119 1 U 1.000e+02 0.00e+00 e 0 932 914 933 0 #N 61, HB2 60, HN 61,
307 124.325 2.814 8.119 1 U 1.000e+02 0.00e+00 e 0 932 915 933 0 #N 61, HB3 60, HN 61,
312 119.457 8.119 7.944 1 U 7.674e+03 0.00e+00 e 0 942 933 943 0 #N 62, HN 61, HN 62,
313 119.457 3.135 7.944 1 U 2.721e+03 0.00e+00 e 0 942 935 943 0 #N 62, HA 61, HN 62,
314 119.457 0.957 7.944 1 U 1.030e+04 0.00e+00 e 0 942 936 943 0 #N 62, QB 61, HN 62,
315 119.087 7.944 7.908 1 U 1.823e+04 0.00e+00 e 0 960 943 961 0 #N 63, HN 62, HN 63,
316 119.087 3.219 7.908 1 U 1.227e+03 0.00e+00 e 0 960 945 961 0 #N 63, HA 62, HN 63,
317 119.087 1.874 7.908 1 U 5.511e+03 0.00e+00 e 0 960 947 961 0 #N 63, HB 62, HN 63,
318 119.087 0.597 7.908 1 U 1.887e+03 0.00e+00 e 0 960 948 961 0 #N 63, QG1 62, HN 63,
319 119.087 0.542 7.908 1 U 2.215e+03 0.00e+00 e 0 960 949 961 0 #N 63, QG2 62, HN 63,
320 121.079 7.908 7.776 1 U 9.941e+03 0.00e+00 e 0 985 961 986 0 #N 64, HN 63, HN 64,
321 121.079 3.395 7.776 1 U 3.468e+03 0.00e+00 e 0 985 963 986 0 #N 64, HA 63, HN 64,
322 121.079 1.758 7.776 1 U 1.000e+02 0.00e+00 e 0 985 965 986 0 #N 64, HB2 63, HN 64,
323 121.079 1.685 7.776 1 U 1.000e+02 0.00e+00 e 0 985 966 986 0 #N 64, HB3 63, HN 64,
324 121.079 1.465 7.776 1 U 1.079e+03 0.00e+00 e 0 985 969 986 0 #N 64, HG2 63, HN 64,
330 121.891 7.776 8.723 1 U 8.499e+03 0.00e+00 e 0 1010 986 1011 0 #N 65, HN 64, HN 65,
331 121.891 4.008 8.723 1 U 1.629e+03 0.00e+00 e 0 1010 988 1011 0 #N 65, HA 64, HN 65,
332 121.891 1.962 8.723 1 U 4.559e+03 0.00e+00 e 0 1010 990 1011 0 #N 65, HB2 64, HN 65,
340 112.152 8.723 8.343 1 U 7.358e+03 0.00e+00 e 0 1020 1011 1021 0 #N 66, HN 65, HN 66,
341 112.152 3.805 8.343 1 U 5.715e+03 0.00e+00 e 0 1020 1013 1021 0 #N 66, HA 65, HN 66,
342 112.152 1.478 8.343 1 U 1.344e+04 0.00e+00 e 0 1020 1014 1021 0 #N 66, QB 65, HN 66,
343 121.531 8.343 7.571 1 U 7.368e+03 0.00e+00 e 0 1030 1021 1031 0 #N 67, HN 66, HN 67,
344 121.531 4.122 7.571 1 U 2.628e+03 0.00e+00 e 0 1030 1023 1031 0 #N 67, HA 66, HN 67,
345 121.531 3.779 7.571 1 U 1.000e+02 0.00e+00 e 0 1030 1025 1031 0 #N 67, HB2 66, HN 67,
346 121.531 3.773 7.571 1 U 1.000e+02 0.00e+00 e 0 1030 1026 1031 0 #N 67, HB3 66, HN 67,
347 117.024 7.571 8.038 1 U 1.378e+04 0.00e+00 e 0 1048 1031 1049 0 #N 68, HN 67, HN 68,
348 117.024 4.025 8.038 1 U 9.848e+03 0.00e+00 e 0 1048 1033 1049 0 #N 68, HA 67, HN 68,
349 117.024 2.222 8.038 1 U 4.599e+03 0.00e+00 e 0 1048 1035 1049 0 #N 68, HB2 67, HN 68,
350 117.024 2.148 8.038 1 U 4.988e+03 0.00e+00 e 0 1048 1036 1049 0 #N 68, HB3 67, HN 68,
351 117.024 2.526 8.038 1 U 5.780e+02 0.00e+00 e 0 1048 1039 1049 0 #N 68, HG2 67, HN 68,
352 117.024 2.302 8.038 1 U 2.410e+03 0.00e+00 e 0 1048 1040 1049 0 #N 68, HG3 67, HN 68,
355 108.486 8.038 8.096 1 U 6.389e+03 0.00e+00 e 0 1070 1049 1071 0 #N 69, HN 68, HN 69,
356 108.486 4.043 8.096 1 U 5.463e+03 0.00e+00 e 0 1070 1051 1071 0 #N 69, HA 68, HN 69,
357 108.486 1.643 8.096 1 U 2.346e+03 0.00e+00 e 0 1070 1053 1071 0 #N 69, HB2 68, HN 69,
358 108.486 1.280 8.096 1 U 9.790e+02 0.00e+00 e 0 1070 1054 1071 0 #N 69, HB3 68, HN 69,
359 108.486 1.354 8.096 1 U 1.317e+03 0.00e+00 e 0 1070 1057 1071 0 #N 69, HG 68, HN 69,
360 108.486 0.485 8.096 1 U 7.750e+02 0.00e+00 e 0 1070 1058 1071 0 #N 69, QD1 68, HN 69,
362 110.662 8.096 7.513 1 U 2.076e+04 0.00e+00 e 0 1077 1071 1078 0 #N 70, HN 69, HN 70,
363 110.662 4.013 7.513 1 U 4.782e+03 0.00e+00 e 0 1077 1073 1078 0 #N 70, HA1 69, HN 70,
364 110.662 3.937 7.513 1 U 6.281e+03 0.00e+00 e 0 1077 1074 1078 0 #N 70, HA2 69, HN 70,
366 118.233 4.849 8.271 1 U 1.476e+04 0.00e+00 e 0 1095 1080 1096 0 #N 71, HA 70, HN 71,
367 118.233 2.539 8.271 1 U 4.370e+03 0.00e+00 e 0 1095 1082 1096 0 #N 71, HB 70, HN 71,
368 118.233 0.968 8.271 1 U 4.293e+03 0.00e+00 e 0 1095 1083 1096 0 #N 71, QG1 70, HN 71,
369 118.233 0.827 8.271 1 U 4.891e+03 0.00e+00 e 0 1095 1084 1096 0 #N 71, QG2 70, HN 71,
370 110.945 8.271 8.370 1 U 5.590e+02 0.00e+00 e 0 1120 1096 1121 0 #N 72, HN 71, HN 72,
371 110.945 5.164 8.370 1 U 1.847e+04 0.00e+00 e 0 1120 1098 1121 0 #N 72, HA 71, HN 72,
372 110.945 1.630 8.370 1 U 1.956e+03 0.00e+00 e 0 1120 1100 1121 0 #N 72, HB2 71, HN 72,
373 110.945 1.582 8.370 1 U 1.000e+02 0.00e+00 e 0 1120 1101 1121 0 #N 72, HB3 71, HN 72,
374 110.945 1.339 8.370 1 U 1.839e+03 0.00e+00 e 0 1120 1104 1121 0 #N 72, HG2 71, HN 72,
375 110.945 1.245 8.370 1 U 1.441e+03 0.00e+00 e 0 1120 1105 1121 0 #N 72, HG3 71, HN 72,
376 110.945 1.577 8.370 1 U 1.000e+02 0.00e+00 e 0 1120 1108 1121 0 #N 72, HD2 71, HN 72,
377 110.945 1.573 8.370 1 U 1.000e+02 0.00e+00 e 0 1120 1109 1121 0 #N 72, HD3 71, HN 72,
380 125.587 8.370 8.442 1 U 3.220e+02 0.00e+00 e 0 1141 1121 1142 0 #N 73, HN 72, HN 73,
381 125.587 5.373 8.442 1 U 1.533e+04 0.00e+00 e 0 1141 1123 1142 0 #N 73, HA 72, HN 73,
382 125.587 1.336 8.442 1 U 1.000e+02 0.00e+00 e 0 1141 1125 1142 0 #N 73, HB 72, HN 73,
383 125.587 0.414 8.442 1 U 2.382e+03 0.00e+00 e 0 1141 1126 1142 0 #N 73, QG2 72, HN 73,
384 125.587 1.325 8.442 1 U 1.000e+02 0.00e+00 e 0 1141 1132 1142 0 #N 73, HG12 72, HN 73,
385 125.587 0.888 8.442 1 U 1.093e+03 0.00e+00 e 0 1141 1133 1142 0 #N 73, HG13 72, HN 73,
427 99.143 7.118 5.421 1 U -1.151e+03 0.00e+00 e 0 1271 1262 1272 0 #N 80, HN 79, HN 80,
428 99.143 3.341 5.421 1 U -1.382e+03 0.00e+00 e 0 1271 1264 1272 0 #N 80, HA 79, HN 80,
429 99.143 0.752 5.421 1 U -4.479e+03 0.00e+00 e 0 1271 1265 1272 0 #N 80, QB 79, HN 80,
434 116.203 3.483 5.269 1 U 1.635e+03 0.00e+00 e 0 1299 1281 1300 0 #N 82, HA 81, HN 82,
435 116.203 1.406 5.269 1 U 1.000e+02 0.00e+00 e 0 1299 1283 1300 0 #N 82, HB 81, HN 82,
436 116.203 0.661 5.269 1 U 1.296e+03 0.00e+00 e 0 1299 1284 1300 0 #N 82, QG2 81, HN 82,
438 116.203 1.417 5.269 1 U 1.000e+02 0.00e+00 e 0 1299 1291 1300 0 #N 82, HG13 81, HN 82,
439 116.203 0.844 5.269 1 U 2.042e+03 0.00e+00 e 0 1299 1293 1300 0 #N 82, QD1 81, HN 82,
440 113.769 5.269 6.320 1 U 1.139e+04 0.00e+00 e 0 1309 1300 1310 0 #N 83, HN 82, HN 83,
441 113.769 2.198 6.320 1 U 1.000e+02 0.00e+00 e 0 1309 1302 1310 0 #N 83, HA 82, HN 83,
442 113.769 0.129 6.320 1 U 1.132e+04 0.00e+00 e 0 1309 1303 1310 0 #N 83, QB 82, HN 83,
443 117.829 6.320 9.448 1 U 1.621e+03 0.00e+00 e 0 1332 1310 1333 0 #N 84, HN 83, HN 84,
451 118.647 9.448 6.890 1 U 1.294e+04 0.00e+00 e 0 1356 1333 1357 0 #N 85, HN 84, HN 85,
452 118.647 5.008 6.890 1 U 3.800e+02 0.00e+00 e 0 1356 1335 1357 0 #N 85, HA 84, HN 85,
453 118.647 3.488 6.890 1 U 2.789e+03 0.00e+00 e 0 1356 1337 1357 0 #N 85, HB2 84, HN 85,
454 118.647 3.178 6.890 1 U 2.230e+03 0.00e+00 e 0 1356 1338 1357 0 #N 85, HB3 84, HN 85,
461 106.041 6.890 8.358 1 U 1.012e+04 0.00e+00 e 0 1366 1357 1367 0 #N 86, HN 85, HN 86,
462 106.041 3.885 8.358 1 U 1.847e+03 0.00e+00 e 0 1366 1359 1367 0 #N 86, HA 85, HN 86,
463 106.041 1.599 8.358 1 U 5.141e+03 0.00e+00 e 0 1366 1360 1367 0 #N 86, QB 85, HN 86,
464 108.471 8.358 7.448 1 U 8.283e+03 0.00e+00 e 0 1379 1367 1380 0 #N 87, HN 86, HN 87,
465 108.471 4.340 7.448 1 U 1.000e+02 0.00e+00 e 0 1379 1369 1380 0 #N 87, HA 86, HN 87,
468 122.923 7.448 8.190 1 U 6.396e+03 0.00e+00 e 0 1386 1380 1387 0 #N 88, HN 87, HN 88,
470 122.923 3.890 8.190 1 U 1.000e+02 0.00e+00 e 0 1386 1383 1387 0 #N 88, HA2 87, HN 88,
471 114.391 8.190 7.400 1 U 6.694e+03 0.00e+00 e 0 1401 1387 1402 0 #N 89, HN 88, HN 89,
472 114.391 3.900 7.400 1 U 1.715e+03 0.00e+00 e 0 1401 1389 1402 0 #N 89, HA 88, HN 89,
473 114.391 1.627 7.400 1 U 1.576e+03 0.00e+00 e 0 1401 1391 1402 0 #N 89, HB2 88, HN 89,
474 114.391 1.436 7.400 1 U 1.225e+03 0.00e+00 e 0 1401 1392 1402 0 #N 89, HB3 88, HN 89,
476 114.391 1.730 7.400 1 U 7.490e+02 0.00e+00 e 0 1401 1396 1402 0 #N 89, HG3 88, HN 89,
478 122.524 5.077 8.689 1 U 8.157e+03 0.00e+00 e 0 1425 1404 1426 0 #N 90, HA 89, HN 90,
487 128.393 8.689 8.724 1 U 1.387e+03 0.00e+00 e 0 1450 1426 1451 0 #N 91, HN 90, HN 91,
488 128.393 4.288 8.724 1 U 1.665e+04 0.00e+00 e 0 1450 1428 1451 0 #N 91, HA 90, HN 91,
489 128.393 1.731 8.724 1 U 1.000e+02 0.00e+00 e 0 1450 1430 1451 0 #N 91, HB2 90, HN 91,
490 128.393 1.727 8.724 1 U 1.000e+02 0.00e+00 e 0 1450 1431 1451 0 #N 91, HB3 90, HN 91,
491 128.393 1.473 8.724 1 U 1.690e+03 0.00e+00 e 0 1450 1434 1451 0 #N 91, HG2 90, HN 91,
492 128.393 1.395 8.724 1 U 8.420e+02 0.00e+00 e 0 1450 1435 1451 0 #N 91, HG3 90, HN 91,
530 122.818 8.289 8.418 1 U 7.883e+03 0.00e+00 e 0 1550 1538 1551 0 #N 97, HN 96, HN 97,
531 122.818 3.424 8.418 1 U 1.948e+03 0.00e+00 e 0 1550 1540 1551 0 #N 97, HA 96, HN 97,
532 122.818 3.024 8.418 1 U 1.586e+03 0.00e+00 e 0 1550 1542 1551 0 #N 97, HB 96, HN 97,
533 122.818 0.074 8.418 1 U 7.490e+02 0.00e+00 e 0 1550 1543 1551 0 #N 97, QG2 96, HN 97,
534 122.711 8.418 7.810 1 U 1.066e+04 0.00e+00 e 0 1568 1551 1569 0 #N 98, HN 97, HN 98,
535 122.711 3.802 7.810 1 U 2.570e+03 0.00e+00 e 0 1568 1553 1569 0 #N 98, HA 97, HN 98,
536 122.711 1.986 7.810 1 U 8.193e+03 0.00e+00 e 0 1568 1555 1569 0 #N 98, HB2 97, HN 98,
537 122.711 1.887 7.810 1 U 5.694e+03 0.00e+00 e 0 1568 1556 1569 0 #N 98, HB3 97, HN 98,
538 122.711 2.277 7.810 1 U 1.176e+03 0.00e+00 e 0 1568 1559 1569 0 #N 98, HG2 97, HN 98,
542 118.236 7.810 7.258 1 U 1.094e+04 0.00e+00 e 0 1578 1569 1579 0 #N 99, HN 98, HN 99,
543 118.236 4.022 7.258 1 U 4.113e+03 0.00e+00 e 0 1578 1571 1579 0 #N 99, HA 98, HN 99,
544 118.236 1.368 7.258 1 U 1.454e+04 0.00e+00 e 0 1578 1572 1579 0 #N 99, QB 98, HN 99,
545 121.123 7.258 8.301 1 U 6.545e+03 0.00e+00 e 0 1601 1579 1602 0 #N 100, HN 99, HN 100,
546 121.123 3.885 8.301 1 U 1.197e+03 0.00e+00 e 0 1601 1581 1602 0 #N 100, HA 99, HN 100,
547 121.123 2.787 8.301 1 U 6.929e+03 0.00e+00 e 0 1601 1583 1602 0 #N 100, HB2 99, HN 100,
548 121.123 2.637 8.301 1 U 3.745e+03 0.00e+00 e 0 1601 1584 1602 0 #N 100, HB3 99, HN 100,
553 118.048 8.301 7.982 1 U 4.216e+03 0.00e+00 e 0 1611 1602 1612 0 #N 101, HN 100, HN 101,
555 118.048 1.479 7.982 1 U 1.000e+02 0.00e+00 e 0 1611 1605 1612 0 #N 101, QB 100, HN 101,
569 119.477 8.032 7.608 1 U 1.447e+04 0.00e+00 e 0 1690 1677 1691 0 #N 105, HN 104, HN 105,
570 119.477 4.516 7.608 1 U 3.224e+03 0.00e+00 e 0 1690 1679 1691 0 #N 105, HA 104, HN 105,
571 119.477 2.965 7.608 1 U 4.771e+03 0.00e+00 e 0 1690 1681 1691 0 #N 105, HB2 104, HN 105,
572 119.477 2.814 7.608 1 U 9.161e+03 0.00e+00 e 0 1690 1682 1691 0 #N 105, HB3 104, HN 105,
573 119.477 7.764 7.608 1 U 1.396e+03 0.00e+00 e 0 1690 1686 1691 0 #N 105, HD21 104, HN 105,
574 119.477 7.016 7.608 1 U 1.481e+03 0.00e+00 e 0 1690 1687 1691 0 #N 105, HD22 104, HN 105,
575 115.796 7.608 7.367 1 U 1.708e+04 0.00e+00 e 0 1708 1691 1709 0 #N 106, HN 105, HN 106,
576 115.796 3.959 7.367 1 U 5.473e+03 0.00e+00 e 0 1708 1693 1709 0 #N 106, HA 105, HN 106,
577 115.796 1.986 7.367 1 U 4.529e+03 0.00e+00 e 0 1708 1695 1709 0 #N 106, HB2 105, HN 106,
578 115.796 1.856 7.367 1 U 7.182e+03 0.00e+00 e 0 1708 1696 1709 0 #N 106, HB3 105, HN 106,
580 115.796 1.934 7.367 1 U 7.780e+02 0.00e+00 e 0 1708 1700 1709 0 #N 106, HG3 105, HN 106,
582 115.796 6.636 7.367 1 U 1.000e+02 0.00e+00 e 0 1708 1705 1709 0 #N 106, HE22 105, HN 106,
583 119.050 7.367 7.015 1 U 1.114e+04 0.00e+00 e 0 1731 1709 1732 0 #N 107, HN 106, HN 107,
584 119.050 4.713 7.015 1 U 2.240e+03 0.00e+00 e 0 1731 1711 1732 0 #N 107, HA 106, HN 107,
586 119.050 2.516 7.015 1 U 4.750e+02 0.00e+00 e 0 1731 1714 1732 0 #N 107, HB3 106, HN 107,
590 119.050 7.087 7.015 1 U -1.624e+03 0.00e+00 e 0 1731 1725 1732 0 #N 107, QD 106, HN 107,
591 112.141 7.015 8.707 1 U 1.551e+03 0.00e+00 e 0 1757 1732 1758 0 #N 108, HN 107, HN 108,
592 112.141 3.647 8.707 1 U 2.088e+04 0.00e+00 e 0 1757 1734 1758 0 #N 108, HA 107, HN 108,
593 112.141 1.888 8.707 1 U 1.486e+03 0.00e+00 e 0 1757 1736 1758 0 #N 108, HB2 107, HN 108,
594 112.141 1.749 8.707 1 U 2.311e+03 0.00e+00 e 0 1757 1737 1758 0 #N 108, HB3 107, HN 108,
595 112.141 1.650 8.707 1 U 1.872e+03 0.00e+00 e 0 1757 1740 1758 0 #N 108, HG2 107, HN 108,
596 112.141 1.623 8.707 1 U 4.463e+03 0.00e+00 e 0 1757 1741 1758 0 #N 108, HG3 107, HN 108,
599 114.195 8.707 7.456 1 U 4.092e+03 0.00e+00 e 0 1764 1758 1765 0 #N 109, HN 108, HN 109,
600 114.195 4.368 7.456 1 U 1.628e+03 0.00e+00 e 0 1764 1760 1765 0 #N 109, HA1 108, HN 109,
601 114.195 3.531 7.456 1 U 1.365e+03 0.00e+00 e 0 1764 1761 1765 0 #N 109, HA2 108, HN 109,
602 110.921 7.456 6.203 1 U 2.246e+04 0.00e+00 e 0 1785 1765 1786 0 #N 110, HN 109, HN 110,
603 110.921 4.302 6.203 1 U 4.835e+03 0.00e+00 e 0 1785 1767 1786 0 #N 110, HA 109, HN 110,
604 110.921 2.324 6.203 1 U 5.240e+03 0.00e+00 e 0 1785 1769 1786 0 #N 110, HB 109, HN 110,
605 110.921 0.942 6.203 1 U 1.910e+03 0.00e+00 e 0 1785 1770 1786 0 #N 110, QG2 109, HN 110,
606 110.921 1.616 6.203 1 U 2.196e+03 0.00e+00 e 0 1785 1776 1786 0 #N 110, HG12 109, HN 110,
607 110.921 1.485 6.203 1 U 1.183e+03 0.00e+00 e 0 1785 1777 1786 0 #N 110, HG13 109, HN 110,
608 110.921 0.916 6.203 1 U 2.842e+03 0.00e+00 e 0 1785 1779 1786 0 #N 110, QD1 109, HN 110,
609 114.986 6.203 8.107 1 U 4.040e+02 0.00e+00 e 0 1808 1786 1809 0 #N 111, HN 110, HN 111,
610 114.986 5.992 8.107 1 U 1.937e+04 0.00e+00 e 0 1808 1788 1809 0 #N 111, HA 110, HN 111,
611 114.986 2.394 8.107 1 U 8.491e+03 0.00e+00 e 0 1808 1790 1809 0 #N 111, HB2 110, HN 111,
612 114.986 2.251 8.107 1 U 5.683e+03 0.00e+00 e 0 1808 1791 1809 0 #N 111, HB3 110, HN 111,
616 114.986 6.158 8.107 1 U 1.351e+03 0.00e+00 e 0 1808 1802 1809 0 #N 111, QD 110, HN 111,
618 117.830 4.347 8.792 1 U 1.972e+04 0.00e+00 e 0 1818 1811 1819 0 #N 112, HA 111, HN 112,
619 117.830 3.831 8.792 1 U 1.118e+04 0.00e+00 e 0 1818 1813 1819 0 #N 112, HB2 111, HN 112,
620 117.830 3.724 8.792 1 U 4.985e+03 0.00e+00 e 0 1818 1814 1819 0 #N 112, HB3 111, HN 112,
621 122.709 8.792 9.083 1 U 5.260e+02 0.00e+00 e 0 1841 1819 1842 0 #N 113, HN 112, HN 113,
622 122.709 5.556 9.083 1 U 1.457e+04 0.00e+00 e 0 1841 1821 1842 0 #N 113, HA 112, HN 113,
623 122.709 3.380 9.083 1 U 1.000e+02 0.00e+00 e 0 1841 1823 1842 0 #N 113, HB2 112, HN 113,
624 122.709 3.375 9.083 1 U 1.000e+02 0.00e+00 e 0 1841 1824 1842 0 #N 113, HB3 112, HN 113,
628 122.709 7.010 9.083 1 U 1.252e+03 0.00e+00 e 0 1841 1836 1842 0 #N 113, QD 112, HN 113,
630 128.396 4.410 8.166 1 U 2.475e+04 0.00e+00 e 0 1856 1844 1857 0 #N 114, HA 113, HN 114,
631 128.396 1.757 8.166 1 U 2.374e+03 0.00e+00 e 0 1856 1846 1857 0 #N 114, HB2 113, HN 114,
633 128.396 2.025 8.166 1 U 3.196e+03 0.00e+00 e 0 1856 1850 1857 0 #N 114, HG2 113, HN 114,
634 128.396 1.958 8.166 1 U 1.750e+03 0.00e+00 e 0 1856 1851 1857 0 #N 114, HG3 113, HN 114,
636 126.372 3.622 8.509 1 U 1.462e+04 0.00e+00 e 0 1881 1859 1882 0 #N 115, HA 114, HN 115,
638 126.372 1.288 8.509 1 U 2.295e+03 0.00e+00 e 0 1881 1862 1882 0 #N 115, HB3 114, HN 115,
639 126.372 1.152 8.509 1 U 1.096e+03 0.00e+00 e 0 1881 1865 1882 0 #N 115, HG2 114, HN 115,
640 126.372 0.986 8.509 1 U 1.736e+03 0.00e+00 e 0 1881 1866 1882 0 #N 115, HG3 114, HN 115,
646 125.954 3.913 8.376 1 U 1.709e+04 0.00e+00 e 0 1899 1884 1900 0 #N 116, HA 115, HN 116,
647 125.954 1.862 8.376 1 U 3.731e+03 0.00e+00 e 0 1899 1886 1900 0 #N 116, HB 115, HN 116,
648 125.954 0.815 8.376 1 U 5.705e+03 0.00e+00 e 0 1899 1887 1900 0 #N 116, QG1 115, HN 116,
649 125.954 0.796 8.376 1 U 1.711e+03 0.00e+00 e 0 1899 1888 1900 0 #N 116, QG2 115, HN 116,
650 125.546 8.376 8.414 1 U 1.000e+02 0.00e+00 e 0 1924 1900 1925 0 #N 117, HN 116, HN 117,
651 125.546 4.249 8.414 1 U 7.192e+03 0.00e+00 e 0 1924 1902 1925 0 #N 117, HA 116, HN 117,
652 125.546 1.757 8.414 1 U 2.049e+03 0.00e+00 e 0 1924 1904 1925 0 #N 117, HB2 116, HN 117,
670 110.928 4.598 8.444 1 U 4.774e+03 0.00e+00 e 0 1961 1954 1962 0 #N 120, HA 119, HN 120,
674 120.260 3.910 8.705 1 U 5.552e+03 0.00e+00 e 0 1968 1964 1969 0 #N 121, HA1 120, HN 121,
675 120.260 3.889 8.705 1 U 2.152e+03 0.00e+00 e 0 1968 1965 1969 0 #N 121, HA2 120, HN 121,
677 119.456 4.816 9.035 1 U 6.729e+03 0.00e+00 e 0 1982 1971 1983 0 #N 122, HA 121, HN 122,
678 119.456 3.073 9.035 1 U 7.951e+03 0.00e+00 e 0 1982 1973 1983 0 #N 122, HB2 121, HN 122,
679 119.456 2.940 9.035 1 U 6.185e+03 0.00e+00 e 0 1982 1974 1983 0 #N 122, HB3 121, HN 122,
682 121.502 9.035 7.981 1 U 5.860e+02 0.00e+00 e 0 1997 1983 1998 0 #N 123, HN 122, HN 123,
683 121.502 4.007 7.981 1 U 1.871e+03 0.00e+00 e 0 1997 1985 1998 0 #N 123, HA 122, HN 123,
684 121.502 1.625 7.981 1 U 2.833e+03 0.00e+00 e 0 1997 1987 1998 0 #N 123, HB2 122, HN 123,
685 121.502 1.606 7.981 1 U 1.000e+02 0.00e+00 e 0 1997 1988 1998 0 #N 123, HB3 122, HN 123,
686 121.502 1.337 7.981 1 U 1.000e+02 0.00e+00 e 0 1997 1991 1998 0 #N 123, HG2 122, HN 123,
687 121.502 1.334 7.981 1 U 1.000e+02 0.00e+00 e 0 1997 1992 1998 0 #N 123, HG3 122, HN 123,
688 118.635 7.981 7.646 1 U 8.481e+03 0.00e+00 e 0 2020 1998 2021 0 #N 124, HN 123, HN 124,
689 118.635 4.141 7.646 1 U 1.960e+02 0.00e+00 e 0 2020 2000 2021 0 #N 124, HA 123, HN 124,
690 118.635 1.879 7.646 1 U 1.128e+03 0.00e+00 e 0 2020 2002 2021 0 #N 124, HB2 123, HN 124,
691 118.635 1.606 7.646 1 U 1.000e+02 0.00e+00 e 0 2020 2003 2021 0 #N 124, HB3 123, HN 124,
695 118.635 6.712 7.646 1 U 4.690e+02 0.00e+00 e 0 2020 2015 2021 0 #N 124, QD 123, HN 124,
696 118.638 7.646 7.716 1 U 3.855e+03 0.00e+00 e 0 2034 2021 2035 0 #N 125, HN 124, HN 125,
697 118.638 4.594 7.716 1 U 1.845e+03 0.00e+00 e 0 2034 2023 2035 0 #N 125, HA 124, HN 125,
698 118.638 3.030 7.716 1 U 4.145e+03 0.00e+00 e 0 2034 2025 2035 0 #N 125, HB2 124, HN 125,
699 118.638 2.829 7.716 1 U 7.276e+03 0.00e+00 e 0 2034 2026 2035 0 #N 125, HB3 124, HN 125,
702 120.673 7.716 7.867 1 U 5.848e+03 0.00e+00 e 0 2045 2035 2046 0 #N 126, HN 125, HN 126,
703 120.673 4.327 7.867 1 U 1.152e+03 0.00e+00 e 0 2045 2037 2046 0 #N 126, HA 125, HN 126,
704 120.673 2.630 7.867 1 U 1.000e+02 0.00e+00 e 0 2045 2039 2046 0 #N 126, HB2 125, HN 126,
705 120.673 2.624 7.867 1 U 1.000e+02 0.00e+00 e 0 2045 2040 2046 0 #N 126, HB3 125, HN 126,
706 111.328 7.867 7.828 1 U 1.556e+03 0.00e+00 e 0 2068 2046 2069 0 #N 127, HN 126, HN 127,
707 111.328 4.113 7.828 1 U 2.188e+03 0.00e+00 e 0 2068 2048 2069 0 #N 127, HA 126, HN 127,
708 111.328 3.201 7.828 1 U 2.604e+03 0.00e+00 e 0 2068 2050 2069 0 #N 127, HB2 126, HN 127,
709 111.328 3.146 7.828 1 U 4.712e+03 0.00e+00 e 0 2068 2051 2069 0 #N 127, HB3 126, HN 127,
710 111.328 6.894 7.828 1 U 5.890e+02 0.00e+00 e 0 2068 2062 2069 0 #N 127, QD 126, HN 127,
714 122.728 7.828 7.676 1 U 5.833e+03 0.00e+00 e 0 2086 2069 2087 0 #N 128, HN 127, HN 128,
715 122.728 3.712 7.676 1 U 1.547e+03 0.00e+00 e 0 2086 2071 2087 0 #N 128, HA 127, HN 128,
716 122.728 2.076 7.676 1 U 1.989e+03 0.00e+00 e 0 2086 2073 2087 0 #N 128, HB 127, HN 128,
717 122.728 1.316 7.676 1 U 9.281e+03 0.00e+00 e 0 2086 2074 2087 0 #N 128, QG1 127, HN 128,
718 122.728 1.114 7.676 1 U 2.684e+03 0.00e+00 e 0 2086 2075 2087 0 #N 128, QG2 127, HN 128,
719 117.115 7.676 7.882 1 U 6.169e+03 0.00e+00 e 0 2097 2087 2098 0 #N 129, HN 128, HN 129,
720 117.115 4.367 7.882 1 U 2.319e+03 0.00e+00 e 0 2097 2089 2098 0 #N 129, HA 128, HN 129,
721 117.115 2.954 7.882 1 U 2.973e+03 0.00e+00 e 0 2097 2091 2098 0 #N 129, HB2 128, HN 129,
722 117.115 2.742 7.882 1 U 5.613e+03 0.00e+00 e 0 2097 2092 2098 0 #N 129, HB3 128, HN 129,
723 121.104 7.882 8.061 1 U 4.297e+03 0.00e+00 e 0 2115 2098 2116 0 #N 130, HN 129, HN 130,
725 121.104 2.065 8.061 1 U 3.391e+03 0.00e+00 e 0 2115 2102 2116 0 #N 130, HB2 129, HN 130,
726 121.104 2.039 8.061 1 U 2.896e+03 0.00e+00 e 0 2115 2103 2116 0 #N 130, HB3 129, HN 130,
730 122.709 3.625 8.068 1 U 5.140e+03 0.00e+00 e 0 2140 2118 2141 0 #N 131, HA 130, HN 131,
731 122.709 1.506 8.068 1 U 5.629e+03 0.00e+00 e 0 2140 2120 2141 0 #N 131, HB2 130, HN 131,
732 122.709 1.293 8.068 1 U 1.270e+04 0.00e+00 e 0 2140 2121 2141 0 #N 131, HB3 130, HN 131,
733 122.709 1.113 8.068 1 U 9.900e+02 0.00e+00 e 0 2140 2124 2141 0 #N 131, HG2 130, HN 131,
736 122.709 1.336 8.068 1 U 4.699e+03 0.00e+00 e 0 2140 2129 2141 0 #N 131, HD3 130, HN 131,
739 116.249 8.068 7.863 1 U 5.445e+03 0.00e+00 e 0 2150 2141 2151 0 #N 132, HN 131, HN 132,
740 116.249 3.610 7.863 1 U 1.353e+03 0.00e+00 e 0 2150 2143 2151 0 #N 132, HA 131, HN 132,
741 116.249 1.263 7.863 1 U 3.173e+03 0.00e+00 e 0 2150 2144 2151 0 #N 132, QB 131, HN 132,
742 114.985 7.863 8.437 1 U 7.364e+03 0.00e+00 e 0 2175 2151 2176 0 #N 133, HN 132, HN 133,
743 114.985 3.671 8.437 1 U 1.080e+03 0.00e+00 e 0 2175 2153 2176 0 #N 133, HA 132, HN 133,
744 114.985 1.667 8.437 1 U 3.416e+03 0.00e+00 e 0 2175 2155 2176 0 #N 133, HB2 132, HN 133,
745 114.985 1.633 8.437 1 U 2.904e+03 0.00e+00 e 0 2175 2156 2176 0 #N 133, HB3 132, HN 133,
748 114.985 1.465 8.437 1 U 1.000e+02 0.00e+00 e 0 2175 2163 2176 0 #N 133, HD2 132, HN 133,
749 114.985 1.460 8.437 1 U 1.000e+02 0.00e+00 e 0 2175 2164 2176 0 #N 133, HD3 132, HN 133,
752 124.331 8.437 7.346 1 U 9.852e+03 0.00e+00 e 0 2185 2176 2186 0 #N 134, HN 133, HN 134,
753 124.331 4.058 7.346 1 U 4.228e+03 0.00e+00 e 0 2185 2178 2186 0 #N 134, HA 133, HN 134,
754 124.331 3.801 7.346 1 U 3.264e+03 0.00e+00 e 0 2185 2180 2186 0 #N 134, HB2 133, HN 134,
755 124.331 3.759 7.346 1 U 3.901e+03 0.00e+00 e 0 2185 2181 2186 0 #N 134, HB3 133, HN 134,
756 114.393 7.346 6.824 1 U 4.891e+03 0.00e+00 e 0 2195 2186 2196 0 #N 135, HN 134, HN 135,
757 114.393 3.902 6.824 1 U 9.840e+02 0.00e+00 e 0 2195 2188 2196 0 #N 135, HA 134, HN 135,
758 114.393 1.055 6.824 1 U 4.183e+03 0.00e+00 e 0 2195 2189 2196 0 #N 135, QB 134, HN 135,
759 106.861 6.824 7.679 1 U 1.663e+04 0.00e+00 e 0 2217 2196 2218 0 #N 136, HN 135, HN 136,
760 106.861 4.062 7.679 1 U 7.878e+03 0.00e+00 e 0 2217 2198 2218 0 #N 136, HA 135, HN 136,
761 106.861 1.589 7.679 1 U 6.430e+02 0.00e+00 e 0 2217 2200 2218 0 #N 136, HB2 135, HN 136,
762 106.861 1.566 7.679 1 U 2.630e+03 0.00e+00 e 0 2217 2201 2218 0 #N 136, HB3 135, HN 136,
766 119.670 7.679 7.530 1 U 8.497e+03 0.00e+00 e 0 2224 2218 2225 0 #N 137, HN 136, HN 137,
767 119.670 3.924 7.530 1 U 4.408e+03 0.00e+00 e 0 2224 2220 2225 0 #N 137, HA1 136, HN 137,
768 119.670 3.696 7.530 1 U 2.341e+03 0.00e+00 e 0 2224 2221 2225 0 #N 137, HA2 136, HN 137,
776 121.081 8.227 8.242 1 U 1.000e+02 0.00e+00 e 0 2271 2246 2272 0 #N 139, HN 138, HN 139,
777 121.081 4.231 8.242 1 U 1.232e+04 0.00e+00 e 0 2271 2248 2272 0 #N 139, HA 138, HN 139,
778 121.081 1.728 8.242 1 U 5.568e+03 0.00e+00 e 0 2271 2250 2272 0 #N 139, HB2 138, HN 139,
779 121.081 1.601 8.242 1 U 2.367e+03 0.00e+00 e 0 2271 2251 2272 0 #N 139, HB3 138, HN 139,
784 122.310 8.242 8.156 1 U 2.941e+03 0.00e+00 e 0 2282 2272 2283 0 #N 140, HN 139, HN 140,
785 122.310 4.526 8.156 1 U 2.284e+04 0.00e+00 e 0 2282 2274 2283 0 #N 140, HA 139, HN 140,
786 122.310 2.652 8.156 1 U 2.511e+03 0.00e+00 e 0 2282 2276 2283 0 #N 140, HB2 139, HN 140,
787 122.310 2.499 8.156 1 U 2.930e+03 0.00e+00 e 0 2282 2277 2283 0 #N 140, HB3 139, HN 140,
788 119.861 8.156 8.233 1 U -1.140e+02 0.00e+00 e 0 2304 2283 2305 0 #N 141, HN 140, HN 141,
789 119.861 4.158 8.233 1 U 1.249e+04 0.00e+00 e 0 2304 2285 2305 0 #N 141, HA 140, HN 141,
790 119.861 1.512 8.233 1 U 1.000e+02 0.00e+00 e 0 2304 2287 2305 0 #N 141, HB2 140, HN 141,
791 119.861 1.467 8.233 1 U 2.290e+03 0.00e+00 e 0 2304 2288 2305 0 #N 141, HB3 140, HN 141,
792 119.861 1.505 8.233 1 U 1.000e+02 0.00e+00 e 0 2304 2291 2305 0 #N 141, HG 140, HN 141,
795 118.840 8.233 8.102 1 U 1.000e+02 0.00e+00 e 0 2319 2305 2320 0 #N 142, HN 141, HN 142,
796 118.840 4.077 8.102 1 U 1.000e+02 0.00e+00 e 0 2319 2307 2320 0 #N 142, HA 141, HN 142,
797 118.840 1.820 8.102 1 U 1.000e+02 0.00e+00 e 0 2319 2309 2320 0 #N 142, HB2 141, HN 142,
798 118.840 1.794 8.102 1 U 1.000e+02 0.00e+00 e 0 2319 2310 2320 0 #N 142, HB3 141, HN 142,
799 118.840 2.115 8.102 1 U 1.000e+02 0.00e+00 e 0 2319 2313 2320 0 #N 142, HG2 141, HN 142,
800 118.840 2.039 8.102 1 U 1.000e+02 0.00e+00 e 0 2319 2314 2320 0 #N 142, HG3 141, HN 142,
831 121.479 7.982 7.929 1 U 1.435e+03 0.00e+00 e 0 1636 1612 1637 0 #N 102, HN 101, HN 102,
832 121.479 3.955 7.929 1 U 1.961e+03 0.00e+00 e 0 1636 1614 1637 0 #N 102, HA 101, HN 102,
833 121.479 1.827 7.929 1 U 1.000e+02 0.00e+00 e 0 1636 1616 1637 0 #N 102, HB2 101, HN 102,
834 121.479 1.826 7.929 1 U 1.000e+02 0.00e+00 e 0 1636 1617 1637 0 #N 102, HB3 101, HN 102,
835 121.479 1.474 7.929 1 U 1.000e+02 0.00e+00 e 0 1636 1620 1637 0 #N 102, HG2 101, HN 102,
836 121.479 1.470 7.929 1 U 1.000e+02 0.00e+00 e 0 1636 1621 1637 0 #N 102, HG3 101, HN 102,
837 121.479 1.610 7.929 1 U 1.000e+02 0.00e+00 e 0 1636 1624 1637 0 #N 102, HD2 101, HN 102,
838 121.479 1.610 7.929 1 U 1.000e+02 0.00e+00 e 0 1636 1625 1637 0 #N 102, HD3 101, HN 102,
852 121.943 4.538 8.363 2 U 3.835e+03 0.00e+00 e 0 30 33 31 0 #N 3, HA 3, HN 3,
853 121.943 2.589 8.363 2 U 6.185e+03 0.00e+00 e 0 30 35 31 0 #N 3, HB2 3, HN 3,
854 121.943 2.579 8.363 2 U 3.551e+03 0.00e+00 e 0 30 36 31 0 #N 3, HB3 3, HN 3,
856 120.322 4.306 8.144 2 U 5.091e+03 0.00e+00 e 0 41 44 42 0 #N 4, HA 4, HN 4,
857 120.322 1.762 8.144 2 U 3.072e+03 0.00e+00 e 0 41 46 42 0 #N 4, HB2 4, HN 4,
858 120.322 1.710 8.144 2 U 8.182e+03 0.00e+00 e 0 41 47 42 0 #N 4, HB3 4, HN 4,
859 120.322 1.614 8.144 2 U 1.000e+02 0.00e+00 e 0 41 50 42 0 #N 4, HG2 4, HN 4,
860 120.322 1.607 8.144 2 U 1.000e+02 0.00e+00 e 0 41 51 42 0 #N 4, HG3 4, HN 4,
864 117.022 3.905 8.266 2 U 5.820e+03 0.00e+00 e 0 67 70 68 0 #N 5, HA 5, HN 5,
865 117.022 3.934 8.266 2 U 4.950e+03 0.00e+00 e 0 67 72 68 0 #N 5, HB 5, HN 5,
866 117.022 0.892 8.266 2 U 5.038e+03 0.00e+00 e 0 67 73 68 0 #N 5, QG2 5, HN 5,
882 122.706 5.146 8.450 2 U 5.274e+03 0.00e+00 e 0 118 121 119 0 #N 8, HA 8, HN 8,
883 122.706 2.616 8.450 2 U 7.729e+03 0.00e+00 e 0 118 123 119 0 #N 8, HB2 8, HN 8,
884 122.706 2.252 8.450 2 U 3.260e+03 0.00e+00 e 0 118 124 119 0 #N 8, HB3 8, HN 8,
886 123.520 5.145 9.350 2 U 1.000e+02 0.00e+00 e 0 129 132 130 0 #N 9, HA 9, HN 9,
887 123.520 1.542 9.350 2 U 5.025e+03 0.00e+00 e 0 129 134 130 0 #N 9, HB 9, HN 9,
888 123.520 0.600 9.350 2 U 5.080e+02 0.00e+00 e 0 129 135 130 0 #N 9, QG1 9, HN 9,
889 123.520 -0.171 9.350 2 U 6.060e+03 0.00e+00 e 0 129 136 130 0 #N 9, QG2 9, HN 9,
892 127.987 3.018 8.876 2 U 2.529e+03 0.00e+00 e 0 147 152 148 0 #N 10, HB2 10, HN 10,
893 127.987 2.816 8.876 2 U 2.519e+03 0.00e+00 e 0 147 153 148 0 #N 10, HB3 10, HN 10,
901 110.514 1.136 8.829 2 U 1.317e+03 0.00e+00 e 0 170 176 171 0 #N 11, QG2 11, HN 11,
922 125.141 3.872 8.172 2 U 7.064e+03 0.00e+00 e 0 234 237 235 0 #N 16, HA 16, HN 16,
923 125.141 2.049 8.172 2 U 4.336e+03 0.00e+00 e 0 234 239 235 0 #N 16, HB 16, HN 16,
924 125.141 0.888 8.172 2 U 2.016e+03 0.00e+00 e 0 234 240 235 0 #N 16, QG1 16, HN 16,
925 125.141 0.768 8.172 2 U 4.847e+03 0.00e+00 e 0 234 241 235 0 #N 16, QG2 16, HN 16,
926 123.924 8.994 8.994 2 U 9.540e+03 0.00e+00 e 0 252 253 253 0 #N 17, HN 17, HN 17,
927 123.924 4.303 8.994 2 U 6.351e+03 0.00e+00 e 0 252 255 253 0 #N 17, HA 17, HN 17,
928 123.924 2.968 8.994 2 U 5.610e+02 0.00e+00 e 0 252 257 253 0 #N 17, HB2 17, HN 17,
929 123.924 2.560 8.994 2 U 1.015e+03 0.00e+00 e 0 252 258 253 0 #N 17, HB3 17, HN 17,
933 101.947 4.132 6.997 2 U -7.374e+03 0.00e+00 e 0 266 269 267 0 #N 18, HA1 18, HN 18,
934 101.947 3.824 6.997 2 U -1.196e+04 0.00e+00 e 0 266 270 267 0 #N 18, HA2 18, HN 18,
936 119.052 4.783 7.549 2 U 7.600e+03 0.00e+00 e 0 273 276 274 0 #N 19, HA 19, HN 19,
937 119.052 1.853 7.549 2 U 5.801e+03 0.00e+00 e 0 273 278 274 0 #N 19, HB2 19, HN 19,
938 119.052 1.751 7.549 2 U 9.730e+03 0.00e+00 e 0 273 279 274 0 #N 19, HB3 19, HN 19,
939 119.052 2.201 7.549 2 U 2.879e+03 0.00e+00 e 0 273 282 274 0 #N 19, HG2 19, HN 19,
940 119.052 2.056 7.549 2 U 4.064e+03 0.00e+00 e 0 273 283 274 0 #N 19, HG3 19, HN 19,
944 117.014 5.840 8.487 2 U 2.798e+03 0.00e+00 e 0 291 294 292 0 #N 20, HA 20, HN 20,
945 117.014 3.255 8.487 2 U 2.275e+03 0.00e+00 e 0 291 296 292 0 #N 20, HB2 20, HN 20,
946 117.014 2.866 8.487 2 U 8.550e+02 0.00e+00 e 0 291 297 292 0 #N 20, HB3 20, HN 20,
950 117.014 6.768 8.487 2 U 6.123e+03 0.00e+00 e 0 291 308 292 0 #N 20, QD 20, HN 20,
952 120.268 5.132 8.885 2 U 2.374e+03 0.00e+00 e 0 314 317 315 0 #N 21, HA 21, HN 21,
953 120.268 1.212 8.885 2 U 8.982e+03 0.00e+00 e 0 314 318 315 0 #N 21, QB 21, HN 21,
955 118.225 5.698 8.523 2 U 3.298e+03 0.00e+00 e 0 324 327 325 0 #N 22, HA 22, HN 22,
956 118.225 3.598 8.523 2 U 2.078e+03 0.00e+00 e 0 324 329 325 0 #N 22, HB2 22, HN 22,
957 118.225 3.582 8.523 2 U 1.799e+03 0.00e+00 e 0 324 330 325 0 #N 22, HB3 22, HN 22,
958 118.225 6.688 8.523 2 U 1.000e+02 0.00e+00 e 0 324 338 325 0 #N 22, HD1 22, HN 22,
960 118.225 10.311 8.523 2 U 8.020e+02 0.00e+00 e 0 324 342 325 0 #N 22, HE1 22, HN 22,
965 115.797 5.128 8.398 2 U 2.517e+03 0.00e+00 e 0 348 351 349 0 #N 23, HA 23, HN 23,
966 115.797 1.320 8.398 2 U 8.934e+03 0.00e+00 e 0 348 352 349 0 #N 23, QB 23, HN 23,
968 113.764 6.231 8.631 2 U 3.392e+03 0.00e+00 e 0 358 361 359 0 #N 24, HA 24, HN 24,
971 113.764 7.241 8.631 2 U 3.234e+03 0.00e+00 e 0 358 368 359 0 #N 24, QD 24, HN 24,
976 119.048 5.452 8.989 2 U 1.653e+03 0.00e+00 e 0 381 384 382 0 #N 25, HA 25, HN 25,
977 119.048 1.496 8.989 2 U 7.172e+03 0.00e+00 e 0 381 385 382 0 #N 25, QB 25, HN 25,
978 125.158 10.179 10.179 2 U 1.711e+04 0.00e+00 e 0 391 392 392 0 #N 26, HN 26, HN 26,
979 125.158 5.451 10.179 2 U 1.000e+02 0.00e+00 e 0 391 394 392 0 #N 26, HA 26, HN 26,
980 125.158 3.650 10.179 2 U 1.086e+03 0.00e+00 e 0 391 396 392 0 #N 26, HB2 26, HN 26,
981 125.158 3.628 10.179 2 U 1.302e+03 0.00e+00 e 0 391 397 392 0 #N 26, HB3 26, HN 26,
985 125.158 6.737 10.179 2 U 4.687e+03 0.00e+00 e 0 391 409 392 0 #N 26, QD 26, HN 26,
987 126.960 5.115 10.273 2 U 8.583e+03 0.00e+00 e 0 414 417 415 0 #N 27, HA 27, HN 27,
988 126.960 1.906 10.273 2 U 7.926e+03 0.00e+00 e 0 414 419 415 0 #N 27, HB 27, HN 27,
989 126.960 0.363 10.273 2 U 5.962e+03 0.00e+00 e 0 414 420 415 0 #N 27, QG1 27, HN 27,
990 126.960 0.186 10.273 2 U 2.108e+03 0.00e+00 e 0 414 421 415 0 #N 27, QG2 27, HN 27,
992 126.383 4.509 8.571 2 U 3.226e+03 0.00e+00 e 0 432 435 433 0 #N 28, HA 28, HN 28,
993 126.383 1.681 8.571 2 U 3.107e+03 0.00e+00 e 0 432 437 433 0 #N 28, HB2 28, HN 28,
994 126.383 1.234 8.571 2 U 1.000e+02 0.00e+00 e 0 432 438 433 0 #N 28, HB3 28, HN 28,
995 126.383 1.229 8.571 2 U 1.000e+02 0.00e+00 e 0 432 441 433 0 #N 28, HG2 28, HN 28,
1002 126.786 4.328 9.502 2 U 4.699e+03 0.00e+00 e 0 457 460 458 0 #N 29, HA 29, HN 29,
1003 126.786 2.951 9.502 2 U 2.300e+03 0.00e+00 e 0 457 462 458 0 #N 29, HB2 29, HN 29,
1004 126.786 2.810 9.502 2 U 5.620e+02 0.00e+00 e 0 457 463 458 0 #N 29, HB3 29, HN 29,
1006 102.443 4.094 8.666 2 U -8.909e+03 0.00e+00 e 0 468 471 469 0 #N 30, HA1 30, HN 30,
1007 102.443 3.621 8.666 2 U -1.566e+04 0.00e+00 e 0 468 472 469 0 #N 30, HA2 30, HN 30,
1009 118.643 4.705 7.646 2 U 3.945e+03 0.00e+00 e 0 475 478 476 0 #N 31, HA 31, HN 31,
1010 118.643 1.643 7.646 2 U 1.000e+02 0.00e+00 e 0 475 480 476 0 #N 31, HB2 31, HN 31,
1011 118.643 1.636 7.646 2 U 1.000e+02 0.00e+00 e 0 475 481 476 0 #N 31, HB3 31, HN 31,
1012 118.643 1.234 7.646 2 U 2.380e+03 0.00e+00 e 0 475 484 476 0 #N 31, HG2 31, HN 31,
1013 118.643 1.207 7.646 2 U 2.838e+03 0.00e+00 e 0 475 485 476 0 #N 31, HG3 31, HN 31,
1014 118.643 1.575 7.646 2 U 1.000e+02 0.00e+00 e 0 475 488 476 0 #N 31, HD2 31, HN 31,
1015 118.643 1.570 7.646 2 U 1.000e+02 0.00e+00 e 0 475 489 476 0 #N 31, HD3 31, HN 31,
1016 118.643 2.851 7.646 2 U 1.000e+02 0.00e+00 e 0 475 492 476 0 #N 31, HE2 31, HN 31,
1017 118.643 2.847 7.646 2 U 1.000e+02 0.00e+00 e 0 475 493 476 0 #N 31, HE3 31, HN 31,
1019 122.502 4.245 8.594 2 U 2.057e+03 0.00e+00 e 0 500 503 501 0 #N 32, HA 32, HN 32,
1020 122.502 1.821 8.594 2 U 9.324e+03 0.00e+00 e 0 500 505 501 0 #N 32, HB 32, HN 32,
1021 122.502 0.844 8.594 2 U 1.274e+03 0.00e+00 e 0 500 506 501 0 #N 32, QG1 32, HN 32,
1022 122.502 0.574 8.594 2 U 7.470e+03 0.00e+00 e 0 500 507 501 0 #N 32, QG2 32, HN 32,
1024 127.182 4.261 9.324 2 U 5.809e+03 0.00e+00 e 0 518 521 519 0 #N 33, HA 33, HN 33,
1025 127.182 2.680 9.324 2 U 2.428e+03 0.00e+00 e 0 518 523 519 0 #N 33, HB2 33, HN 33,
1026 127.182 2.614 9.324 2 U 2.638e+03 0.00e+00 e 0 518 524 519 0 #N 33, HB3 33, HN 33,
1030 112.547 4.842 7.176 2 U 3.882e+03 0.00e+00 e 0 535 538 536 0 #N 34, HA 34, HN 34,
1031 112.547 2.836 7.176 2 U 1.681e+03 0.00e+00 e 0 535 540 536 0 #N 34, HB2 34, HN 34,
1032 112.547 1.833 7.176 2 U 2.975e+03 0.00e+00 e 0 535 541 536 0 #N 34, HB3 34, HN 34,
1036 112.547 6.548 7.176 2 U 3.210e+03 0.00e+00 e 0 535 552 536 0 #N 34, QD 34, HN 34,
1048 121.082 3.731 8.261 2 U 5.729e+03 0.00e+00 e 0 584 587 585 0 #N 37, HA 37, HN 37,
1049 121.082 0.956 8.261 2 U 1.448e+04 0.00e+00 e 0 584 588 585 0 #N 37, QB 37, HN 37,
1051 116.614 4.172 6.556 2 U 6.660e+03 0.00e+00 e 0 594 597 595 0 #N 38, HA 38, HN 38,
1052 116.614 2.513 6.556 2 U 2.878e+03 0.00e+00 e 0 594 599 595 0 #N 38, HB2 38, HN 38,
1053 116.614 2.276 6.556 2 U 2.247e+03 0.00e+00 e 0 594 600 595 0 #N 38, HB3 38, HN 38,
1055 113.361 4.565 8.754 2 U 5.367e+03 0.00e+00 e 0 605 608 606 0 #N 39, HA 39, HN 39,
1056 113.361 1.817 8.754 2 U 7.701e+03 0.00e+00 e 0 605 610 606 0 #N 39, HB 39, HN 39,
1057 113.361 0.768 8.754 2 U 6.803e+03 0.00e+00 e 0 605 611 606 0 #N 39, QG1 39, HN 39,
1058 113.361 0.715 8.754 2 U 8.550e+03 0.00e+00 e 0 605 612 606 0 #N 39, QG2 39, HN 39,
1060 112.141 4.102 8.694 2 U 7.090e+03 0.00e+00 e 0 623 626 624 0 #N 40, HA1 40, HN 40,
1061 112.141 2.836 8.694 2 U 8.723e+03 0.00e+00 e 0 623 627 624 0 #N 40, HA2 40, HN 40,
1063 117.852 4.580 8.336 2 U 6.020e+03 0.00e+00 e 0 630 633 631 0 #N 41, HA 41, HN 41,
1064 117.852 1.949 8.336 2 U 3.475e+03 0.00e+00 e 0 630 635 631 0 #N 41, HB2 41, HN 41,
1065 117.852 1.706 8.336 2 U 6.445e+03 0.00e+00 e 0 630 636 631 0 #N 41, HB3 41, HN 41,
1066 117.852 1.415 8.336 2 U 1.000e+02 0.00e+00 e 0 630 639 631 0 #N 41, HG2 41, HN 41,
1067 117.852 1.414 8.336 2 U 1.000e+02 0.00e+00 e 0 630 640 631 0 #N 41, HG3 41, HN 41,
1073 120.260 5.090 8.094 2 U 2.232e+03 0.00e+00 e 0 655 658 656 0 #N 42, HA 42, HN 42,
1074 120.260 3.001 8.094 2 U 2.167e+03 0.00e+00 e 0 655 660 656 0 #N 42, HB2 42, HN 42,
1075 120.260 2.730 8.094 2 U 1.162e+03 0.00e+00 e 0 655 661 656 0 #N 42, HB3 42, HN 42,
1079 119.492 4.209 8.172 2 U 1.002e+04 0.00e+00 e 0 685 688 686 0 #N 44, HA 44, HN 44,
1080 119.492 1.319 8.172 2 U 2.184e+04 0.00e+00 e 0 685 689 686 0 #N 44, QB 44, HN 44,
1082 119.459 3.390 7.702 2 U 1.110e+04 0.00e+00 e 0 695 698 696 0 #N 45, HA 45, HN 45,
1083 119.459 0.654 7.702 2 U 3.002e+04 0.00e+00 e 0 695 699 696 0 #N 45, QB 45, HN 45,
1085 118.238 3.797 7.430 2 U 8.542e+03 0.00e+00 e 0 705 708 706 0 #N 46, HA 46, HN 46,
1086 118.238 1.554 7.430 2 U 2.492e+04 0.00e+00 e 0 705 709 706 0 #N 46, QB 46, HN 46,
1088 107.675 4.094 7.210 2 U 7.089e+03 0.00e+00 e 0 715 718 716 0 #N 47, HA 47, HN 47,
1089 107.675 4.161 7.210 2 U 4.908e+03 0.00e+00 e 0 715 720 716 0 #N 47, HB 47, HN 47,
1090 107.675 1.223 7.210 2 U 1.027e+04 0.00e+00 e 0 715 721 716 0 #N 47, QG2 47, HN 47,
1092 118.259 4.181 7.763 2 U 2.986e+03 0.00e+00 e 0 728 731 729 0 #N 48, HA 48, HN 48,
1093 118.259 1.921 7.763 2 U 4.738e+03 0.00e+00 e 0 728 733 729 0 #N 48, HB2 48, HN 48,
1094 118.259 1.555 7.763 2 U 9.542e+03 0.00e+00 e 0 728 734 729 0 #N 48, HB3 48, HN 48,
1095 118.259 2.410 7.763 2 U 1.021e+04 0.00e+00 e 0 728 737 729 0 #N 48, HG2 48, HN 48,
1096 118.259 2.262 7.763 2 U 2.243e+03 0.00e+00 e 0 728 738 729 0 #N 48, HG3 48, HN 48,
1106 118.225 3.600 7.485 2 U 4.785e+03 0.00e+00 e 0 786 789 787 0 #N 51, HA 51, HN 51,
1107 118.225 1.930 7.485 2 U 7.412e+03 0.00e+00 e 0 786 791 787 0 #N 51, HB 51, HN 51,
1108 118.225 0.833 7.485 2 U 2.543e+03 0.00e+00 e 0 786 792 787 0 #N 51, QG1 51, HN 51,
1109 118.225 0.529 7.485 2 U 1.640e+04 0.00e+00 e 0 786 793 787 0 #N 51, QG2 51, HN 51,
1111 120.677 3.739 7.030 2 U 6.738e+03 0.00e+00 e 0 804 807 805 0 #N 52, HA 52, HN 52,
1112 120.677 0.514 7.030 2 U 1.618e+04 0.00e+00 e 0 804 808 805 0 #N 52, QB 52, HN 52,
1114 99.972 4.335 7.202 2 U -3.249e+03 0.00e+00 e 0 814 817 815 0 #N 53, HA1 53, HN 53,
1115 99.972 4.090 7.202 2 U -9.440e+02 0.00e+00 e 0 814 818 815 0 #N 53, HA2 53, HN 53,
1123 119.057 3.189 8.031 2 U 3.538e+03 0.00e+00 e 0 836 839 837 0 #N 55, HA 55, HN 55,
1124 119.057 1.745 8.031 2 U 8.287e+03 0.00e+00 e 0 836 841 837 0 #N 55, HB 55, HN 55,
1125 119.057 -0.047 8.031 2 U 7.110e+02 0.00e+00 e 0 836 842 837 0 #N 55, QG2 55, HN 55,
1126 119.057 1.611 8.031 2 U 1.000e+02 0.00e+00 e 0 836 848 837 0 #N 55, HG12 55, HN 55,
1127 119.057 1.607 8.031 2 U 1.000e+02 0.00e+00 e 0 836 849 837 0 #N 55, HG13 55, HN 55,
1128 119.057 0.442 8.031 2 U 9.380e+02 0.00e+00 e 0 836 851 837 0 #N 55, QD1 55, HN 55,
1130 120.414 3.634 7.709 2 U 7.825e+03 0.00e+00 e 0 857 860 858 0 #N 56, HA 56, HN 56,
1131 120.414 1.454 7.709 2 U 2.111e+04 0.00e+00 e 0 857 861 858 0 #N 56, QB 56, HN 56,
1133 117.425 4.067 8.630 2 U 6.019e+03 0.00e+00 e 0 867 870 868 0 #N 57, HA 57, HN 57,
1134 117.425 2.031 8.630 2 U 2.368e+04 0.00e+00 e 0 867 871 868 0 #N 57, QB 57, HN 57,
1136 117.031 3.766 7.399 2 U 6.479e+03 0.00e+00 e 0 877 880 878 0 #N 58, HA 58, HN 58,
1137 117.031 1.561 7.399 2 U 2.083e+04 0.00e+00 e 0 877 881 878 0 #N 58, QB 58, HN 58,
1139 117.419 3.866 8.008 2 U 7.038e+03 0.00e+00 e 0 887 890 888 0 #N 59, HA 59, HN 59,
1140 117.419 1.536 8.008 2 U 6.934e+03 0.00e+00 e 0 887 892 888 0 #N 59, HB2 59, HN 59,
1141 117.419 1.403 8.008 2 U 4.787e+03 0.00e+00 e 0 887 893 888 0 #N 59, HB3 59, HN 59,
1142 117.419 1.389 8.008 2 U 6.794e+03 0.00e+00 e 0 887 896 888 0 #N 59, HG 59, HN 59,
1143 117.419 0.593 8.008 2 U 1.162e+03 0.00e+00 e 0 887 897 888 0 #N 59, QD1 59, HN 59,
1144 117.419 0.528 8.008 2 U 1.018e+03 0.00e+00 e 0 887 898 888 0 #N 59, QD2 59, HN 59,
1146 117.023 3.954 8.634 2 U 2.403e+03 0.00e+00 e 0 909 912 910 0 #N 60, HA 60, HN 60,
1147 117.023 2.821 8.634 2 U 1.000e+02 0.00e+00 e 0 909 914 910 0 #N 60, HB2 60, HN 60,
1148 117.023 2.814 8.634 2 U 1.000e+02 0.00e+00 e 0 909 915 910 0 #N 60, HB3 60, HN 60,
1152 117.023 6.153 8.634 2 U 2.327e+03 0.00e+00 e 0 909 926 910 0 #N 60, QD 60, HN 60,
1154 124.325 3.135 8.119 2 U 4.018e+03 0.00e+00 e 0 932 935 933 0 #N 61, HA 61, HN 61,
1155 124.325 0.957 8.119 2 U 8.492e+03 0.00e+00 e 0 932 936 933 0 #N 61, QB 61, HN 61,
1157 119.457 3.219 7.944 2 U 7.374e+03 0.00e+00 e 0 942 945 943 0 #N 62, HA 62, HN 62,
1158 119.457 1.874 7.944 2 U 7.560e+03 0.00e+00 e 0 942 947 943 0 #N 62, HB 62, HN 62,
1159 119.457 0.597 7.944 2 U 9.273e+03 0.00e+00 e 0 942 948 943 0 #N 62, QG1 62, HN 62,
1160 119.457 0.542 7.944 2 U 5.834e+03 0.00e+00 e 0 942 949 943 0 #N 62, QG2 62, HN 62,
1162 119.087 3.395 7.908 2 U 5.772e+03 0.00e+00 e 0 960 963 961 0 #N 63, HA 63, HN 63,
1163 119.087 1.758 7.908 2 U 6.961e+03 0.00e+00 e 0 960 965 961 0 #N 63, HB2 63, HN 63,
1164 119.087 1.685 7.908 2 U 9.964e+03 0.00e+00 e 0 960 966 961 0 #N 63, HB3 63, HN 63,
1165 119.087 1.465 7.908 2 U 1.080e+04 0.00e+00 e 0 960 969 961 0 #N 63, HG2 63, HN 63,
1166 119.087 1.211 7.908 2 U 3.380e+03 0.00e+00 e 0 960 970 961 0 #N 63, HG3 63, HN 63,
1172 121.079 4.008 7.776 2 U 7.991e+03 0.00e+00 e 0 985 988 986 0 #N 64, HA 64, HN 64,
1173 121.079 1.962 7.776 2 U 1.173e+04 0.00e+00 e 0 985 990 986 0 #N 64, HB2 64, HN 64,
1174 121.079 1.702 7.776 2 U 1.000e+02 0.00e+00 e 0 985 991 986 0 #N 64, HB3 64, HN 64,
1182 121.891 3.805 8.723 2 U 5.065e+03 0.00e+00 e 0 1010 1013 1011 0 #N 65, HA 65, HN 65,
1183 121.891 1.478 8.723 2 U 1.718e+04 0.00e+00 e 0 1010 1014 1011 0 #N 65, QB 65, HN 65,
1185 112.152 4.122 8.343 2 U 8.407e+03 0.00e+00 e 0 1020 1023 1021 0 #N 66, HA 66, HN 66,
1186 112.152 3.779 8.343 2 U 1.000e+02 0.00e+00 e 0 1020 1025 1021 0 #N 66, HB2 66, HN 66,
1187 112.152 3.773 8.343 2 U 1.000e+02 0.00e+00 e 0 1020 1026 1021 0 #N 66, HB3 66, HN 66,
1189 121.531 4.025 7.571 2 U 1.092e+04 0.00e+00 e 0 1030 1033 1031 0 #N 67, HA 67, HN 67,
1190 121.531 2.222 7.571 2 U 1.277e+04 0.00e+00 e 0 1030 1035 1031 0 #N 67, HB2 67, HN 67,
1191 121.531 2.148 7.571 2 U 7.162e+03 0.00e+00 e 0 1030 1036 1031 0 #N 67, HB3 67, HN 67,
1192 121.531 2.526 7.571 2 U 7.266e+03 0.00e+00 e 0 1030 1039 1031 0 #N 67, HG2 67, HN 67,
1193 121.531 2.302 7.571 2 U 2.654e+03 0.00e+00 e 0 1030 1040 1031 0 #N 67, HG3 67, HN 67,
1197 117.024 4.043 8.038 2 U 5.600e+03 0.00e+00 e 0 1048 1051 1049 0 #N 68, HA 68, HN 68,
1198 117.024 1.643 8.038 2 U 1.551e+04 0.00e+00 e 0 1048 1053 1049 0 #N 68, HB2 68, HN 68,
1199 117.024 1.280 8.038 2 U 6.963e+03 0.00e+00 e 0 1048 1054 1049 0 #N 68, HB3 68, HN 68,
1200 117.024 1.354 8.038 2 U 9.934e+03 0.00e+00 e 0 1048 1057 1049 0 #N 68, HG 68, HN 68,
1201 117.024 0.485 8.038 2 U 5.363e+03 0.00e+00 e 0 1048 1058 1049 0 #N 68, QD1 68, HN 68,
1202 117.024 -0.436 8.038 2 U 4.010e+03 0.00e+00 e 0 1048 1059 1049 0 #N 68, QD2 68, HN 68,
1204 108.486 4.013 8.096 2 U 9.513e+03 0.00e+00 e 0 1070 1073 1071 0 #N 69, HA1 69, HN 69,
1205 108.486 3.937 8.096 2 U 1.160e+04 0.00e+00 e 0 1070 1074 1071 0 #N 69, HA2 69, HN 69,
1207 110.662 4.849 7.513 2 U 7.613e+03 0.00e+00 e 0 1077 1080 1078 0 #N 70, HA 70, HN 70,
1208 110.662 2.539 7.513 2 U 1.592e+03 0.00e+00 e 0 1077 1082 1078 0 #N 70, HB 70, HN 70,
1209 110.662 0.968 7.513 2 U 1.374e+04 0.00e+00 e 0 1077 1083 1078 0 #N 70, QG1 70, HN 70,
1210 110.662 0.827 7.513 2 U 2.428e+04 0.00e+00 e 0 1077 1084 1078 0 #N 70, QG2 70, HN 70,
1212 118.233 5.164 8.271 2 U 4.367e+03 0.00e+00 e 0 1095 1098 1096 0 #N 71, HA 71, HN 71,
1213 118.233 1.630 8.271 2 U 8.927e+03 0.00e+00 e 0 1095 1100 1096 0 #N 71, HB2 71, HN 71,
1214 118.233 1.582 8.271 2 U 1.000e+02 0.00e+00 e 0 1095 1101 1096 0 #N 71, HB3 71, HN 71,
1215 118.233 1.339 8.271 2 U 1.985e+03 0.00e+00 e 0 1095 1104 1096 0 #N 71, HG2 71, HN 71,
1216 118.233 1.245 8.271 2 U 2.527e+03 0.00e+00 e 0 1095 1105 1096 0 #N 71, HG3 71, HN 71,
1217 118.233 1.577 8.271 2 U 1.000e+02 0.00e+00 e 0 1095 1108 1096 0 #N 71, HD2 71, HN 71,
1218 118.233 1.573 8.271 2 U 1.000e+02 0.00e+00 e 0 1095 1109 1096 0 #N 71, HD3 71, HN 71,
1222 110.945 5.373 8.370 2 U 3.378e+03 0.00e+00 e 0 1120 1123 1121 0 #N 72, HA 72, HN 72,
1223 110.945 1.336 8.370 2 U 1.000e+02 0.00e+00 e 0 1120 1125 1121 0 #N 72, HB 72, HN 72,
1224 110.945 0.414 8.370 2 U 2.253e+03 0.00e+00 e 0 1120 1126 1121 0 #N 72, QG2 72, HN 72,
1225 110.945 1.325 8.370 2 U 1.000e+02 0.00e+00 e 0 1120 1132 1121 0 #N 72, HG12 72, HN 72,
1226 110.945 0.888 8.370 2 U 2.389e+03 0.00e+00 e 0 1120 1133 1121 0 #N 72, HG13 72, HN 72,
1227 110.945 0.324 8.370 2 U 1.600e+03 0.00e+00 e 0 1120 1135 1121 0 #N 72, QD1 72, HN 72,
1228 125.587 8.442 8.442 2 U 3.194e+04 0.00e+00 e 0 1141 1142 1142 0 #N 73, HN 73, HN 73,
1229 125.587 4.521 8.442 2 U 1.152e+03 0.00e+00 e 0 1141 1144 1142 0 #N 73, HA 73, HN 73,
1230 125.587 1.962 8.442 2 U 3.522e+03 0.00e+00 e 0 1141 1146 1142 0 #N 73, HB2 73, HN 73,
1231 125.587 1.383 8.442 2 U 1.177e+03 0.00e+00 e 0 1141 1147 1142 0 #N 73, HB3 73, HN 73,
1232 125.587 1.203 8.442 2 U 1.761e+03 0.00e+00 e 0 1141 1150 1142 0 #N 73, HG2 73, HN 73,
1233 125.587 1.032 8.442 2 U 7.040e+02 0.00e+00 e 0 1141 1151 1142 0 #N 73, HG3 73, HN 73,
1269 136.918 3.341 7.118 2 U -1.031e+04 0.00e+00 e 0 1261 1264 1262 0 #N 79, HA 79, HN 79,
1270 136.918 0.752 7.118 2 U -5.860e+02 0.00e+00 e 0 1261 1265 1262 0 #N 79, QB 79, HN 79,
1275 121.081 3.483 8.297 2 U 4.937e+03 0.00e+00 e 0 1278 1281 1279 0 #N 81, HA 81, HN 81,
1282 116.203 2.198 5.269 2 U 3.849e+03 0.00e+00 e 0 1299 1302 1300 0 #N 82, HA 82, HN 82,
1283 116.203 0.129 5.269 2 U 1.769e+04 0.00e+00 e 0 1299 1303 1300 0 #N 82, QB 82, HN 82,
1285 113.769 4.463 6.320 2 U 2.440e+03 0.00e+00 e 0 1309 1312 1310 0 #N 83, HA 83, HN 83,
1286 113.769 2.187 6.320 2 U 1.000e+02 0.00e+00 e 0 1309 1314 1310 0 #N 83, HB2 83, HN 83,
1287 113.769 2.180 6.320 2 U 1.000e+02 0.00e+00 e 0 1309 1315 1310 0 #N 83, HB3 83, HN 83,
1293 117.829 5.008 9.448 2 U 1.971e+03 0.00e+00 e 0 1332 1335 1333 0 #N 84, HA 84, HN 84,
1294 117.829 3.488 9.448 2 U 3.694e+03 0.00e+00 e 0 1332 1337 1333 0 #N 84, HB2 84, HN 84,
1295 117.829 3.178 9.448 2 U 2.546e+03 0.00e+00 e 0 1332 1338 1333 0 #N 84, HB3 84, HN 84,
1296 117.829 7.142 9.448 2 U 9.490e+02 0.00e+00 e 0 1332 1346 1333 0 #N 84, HD1 84, HN 84,
1303 118.647 3.885 6.890 2 U 7.654e+03 0.00e+00 e 0 1356 1359 1357 0 #N 85, HA 85, HN 85,
1304 118.647 1.599 6.890 2 U 2.339e+04 0.00e+00 e 0 1356 1360 1357 0 #N 85, QB 85, HN 85,
1306 106.041 4.340 8.358 2 U 4.355e+03 0.00e+00 e 0 1366 1369 1367 0 #N 86, HA 86, HN 86,
1307 106.041 4.515 8.358 2 U 3.721e+03 0.00e+00 e 0 1366 1371 1367 0 #N 86, HB 86, HN 86,
1308 106.041 1.390 8.358 2 U 1.313e+04 0.00e+00 e 0 1366 1372 1367 0 #N 86, QG2 86, HN 86,
1310 108.471 4.339 7.448 2 U 1.000e+02 0.00e+00 e 0 1379 1382 1380 0 #N 87, HA1 87, HN 87,
1311 108.471 3.890 7.448 2 U 9.060e+03 0.00e+00 e 0 1379 1383 1380 0 #N 87, HA2 87, HN 87,
1313 122.923 3.900 8.190 2 U 1.000e+02 0.00e+00 e 0 1386 1389 1387 0 #N 88, HA 88, HN 88,
1314 122.923 1.627 8.190 2 U 4.914e+03 0.00e+00 e 0 1386 1391 1387 0 #N 88, HB2 88, HN 88,
1315 122.923 1.436 8.190 2 U 2.876e+03 0.00e+00 e 0 1386 1392 1387 0 #N 88, HB3 88, HN 88,
1316 122.923 2.005 8.190 2 U 2.481e+03 0.00e+00 e 0 1386 1395 1387 0 #N 88, HG2 88, HN 88,
1317 122.923 1.730 8.190 2 U 7.150e+02 0.00e+00 e 0 1386 1396 1387 0 #N 88, HG3 88, HN 88,
1319 114.391 5.077 7.400 2 U 2.753e+03 0.00e+00 e 0 1401 1404 1402 0 #N 89, HA 89, HN 89,
1320 114.391 3.013 7.400 2 U 4.490e+02 0.00e+00 e 0 1401 1406 1402 0 #N 89, HB2 89, HN 89,
1321 114.391 2.363 7.400 2 U 1.670e+03 0.00e+00 e 0 1401 1407 1402 0 #N 89, HB3 89, HN 89,
1329 122.524 4.288 8.689 2 U 2.639e+03 0.00e+00 e 0 1425 1428 1426 0 #N 90, HA 90, HN 90,
1330 122.524 1.731 8.689 2 U 1.000e+02 0.00e+00 e 0 1425 1430 1426 0 #N 90, HB2 90, HN 90,
1331 122.524 1.727 8.689 2 U 1.000e+02 0.00e+00 e 0 1425 1431 1426 0 #N 90, HB3 90, HN 90,
1332 122.524 1.473 8.689 2 U 1.933e+03 0.00e+00 e 0 1425 1434 1426 0 #N 90, HG2 90, HN 90,
1333 122.524 1.395 8.689 2 U 9.610e+02 0.00e+00 e 0 1425 1435 1426 0 #N 90, HG3 90, HN 90,
1340 128.393 1.235 8.724 2 U 1.381e+04 0.00e+00 e 0 1450 1454 1451 0 #N 91, QB 91, HN 91,
1372 111.315 3.424 8.289 2 U 4.053e+03 0.00e+00 e 0 1537 1540 1538 0 #N 96, HA 96, HN 96,
1373 111.315 3.024 8.289 2 U 5.541e+03 0.00e+00 e 0 1537 1542 1538 0 #N 96, HB 96, HN 96,
1374 111.315 0.074 8.289 2 U 1.041e+04 0.00e+00 e 0 1537 1543 1538 0 #N 96, QG2 96, HN 96,
1376 122.818 3.802 8.418 2 U 9.401e+03 0.00e+00 e 0 1550 1553 1551 0 #N 97, HA 97, HN 97,
1377 122.818 1.986 8.418 2 U 1.328e+04 0.00e+00 e 0 1550 1555 1551 0 #N 97, HB2 97, HN 97,
1378 122.818 1.887 8.418 2 U 1.224e+04 0.00e+00 e 0 1550 1556 1551 0 #N 97, HB3 97, HN 97,
1379 122.818 2.277 8.418 2 U 4.114e+03 0.00e+00 e 0 1550 1559 1551 0 #N 97, HG2 97, HN 97,
1380 122.818 2.215 8.418 2 U 8.279e+03 0.00e+00 e 0 1550 1560 1551 0 #N 97, HG3 97, HN 97,
1384 122.711 4.022 7.810 2 U 1.084e+04 0.00e+00 e 0 1568 1571 1569 0 #N 98, HA 98, HN 98,
1385 122.711 1.368 7.810 2 U 3.874e+04 0.00e+00 e 0 1568 1572 1569 0 #N 98, QB 98, HN 98,
1387 118.236 3.885 7.258 2 U 9.138e+03 0.00e+00 e 0 1578 1581 1579 0 #N 99, HA 99, HN 99,
1388 118.236 2.787 7.258 2 U 1.254e+04 0.00e+00 e 0 1578 1583 1579 0 #N 99, HB2 99, HN 99,
1389 118.236 2.637 7.258 2 U 8.750e+03 0.00e+00 e 0 1578 1584 1579 0 #N 99, HB3 99, HN 99,
1395 121.123 3.475 8.301 2 U 2.793e+03 0.00e+00 e 0 1601 1604 1602 0 #N 100, HA 100, HN 100,
1396 121.123 1.479 8.301 2 U 2.103e+04 0.00e+00 e 0 1601 1605 1602 0 #N 100, QB 100, HN 100,
1398 118.048 3.955 7.982 2 U 3.913e+03 0.00e+00 e 0 1611 1614 1612 0 #N 101, HA 101, HN 101,
1399 118.048 1.827 7.982 2 U 1.000e+02 0.00e+00 e 0 1611 1616 1612 0 #N 101, HB2 101, HN 101,
1400 118.048 1.826 7.982 2 U 1.000e+02 0.00e+00 e 0 1611 1617 1612 0 #N 101, HB3 101, HN 101,
1401 118.048 1.474 7.982 2 U 1.000e+02 0.00e+00 e 0 1611 1620 1612 0 #N 101, HG2 101, HN 101,
1402 118.048 1.470 7.982 2 U 1.000e+02 0.00e+00 e 0 1611 1621 1612 0 #N 101, HG3 101, HN 101,
1403 118.048 1.610 7.982 2 U 1.000e+02 0.00e+00 e 0 1611 1624 1612 0 #N 101, HD2 101, HN 101,
1404 118.048 1.610 7.982 2 U 1.000e+02 0.00e+00 e 0 1611 1625 1612 0 #N 101, HD3 101, HN 101,
1414 120.675 4.516 8.032 2 U 6.682e+03 0.00e+00 e 0 1676 1679 1677 0 #N 104, HA 104, HN 104,
1415 120.675 2.965 8.032 2 U 1.789e+04 0.00e+00 e 0 1676 1681 1677 0 #N 104, HB2 104, HN 104,
1416 120.675 2.814 8.032 2 U 1.240e+04 0.00e+00 e 0 1676 1682 1677 0 #N 104, HB3 104, HN 104,
1417 120.675 7.764 8.032 2 U 1.104e+03 0.00e+00 e 0 1676 1686 1677 0 #N 104, HD21 104, HN 104,
1420 119.477 3.959 7.608 2 U 1.604e+04 0.00e+00 e 0 1690 1693 1691 0 #N 105, HA 105, HN 105,
1421 119.477 1.986 7.608 2 U 1.515e+04 0.00e+00 e 0 1690 1695 1691 0 #N 105, HB2 105, HN 105,
1422 119.477 1.856 7.608 2 U 1.138e+04 0.00e+00 e 0 1690 1696 1691 0 #N 105, HB3 105, HN 105,
1423 119.477 2.181 7.608 2 U 8.378e+03 0.00e+00 e 0 1690 1699 1691 0 #N 105, HG2 105, HN 105,
1424 119.477 1.934 7.608 2 U 3.590e+03 0.00e+00 e 0 1690 1700 1691 0 #N 105, HG3 105, HN 105,
1428 115.796 4.713 7.367 2 U 8.654e+03 0.00e+00 e 0 1708 1711 1709 0 #N 106, HA 106, HN 106,
1429 115.796 3.524 7.367 2 U 5.660e+03 0.00e+00 e 0 1708 1713 1709 0 #N 106, HB2 106, HN 106,
1430 115.796 2.516 7.367 2 U 1.107e+04 0.00e+00 e 0 1708 1714 1709 0 #N 106, HB3 106, HN 106,
1433 115.796 6.641 7.367 2 U 1.000e+02 0.00e+00 e 0 1708 1723 1709 0 #N 106, QE 106, HN 106,
1434 115.796 7.087 7.367 2 U 6.077e+03 0.00e+00 e 0 1708 1725 1709 0 #N 106, QD 106, HN 106,
1436 119.050 3.647 7.015 2 U 7.741e+03 0.00e+00 e 0 1731 1734 1732 0 #N 107, HA 107, HN 107,
1437 119.050 1.888 7.015 2 U 9.360e+03 0.00e+00 e 0 1731 1736 1732 0 #N 107, HB2 107, HN 107,
1438 119.050 1.749 7.015 2 U 9.265e+03 0.00e+00 e 0 1731 1737 1732 0 #N 107, HB3 107, HN 107,
1439 119.050 1.650 7.015 2 U 1.907e+03 0.00e+00 e 0 1731 1740 1732 0 #N 107, HG2 107, HN 107,
1440 119.050 1.623 7.015 2 U 1.481e+03 0.00e+00 e 0 1731 1741 1732 0 #N 107, HG3 107, HN 107,
1441 119.050 3.253 7.015 2 U 1.475e+03 0.00e+00 e 0 1731 1744 1732 0 #N 107, HD2 107, HN 107,
1442 119.050 3.189 7.015 2 U 2.170e+02 0.00e+00 e 0 1731 1745 1732 0 #N 107, HD3 107, HN 107,
1444 112.141 4.368 8.707 2 U 8.075e+03 0.00e+00 e 0 1757 1760 1758 0 #N 108, HA1 108, HN 108,
1445 112.141 3.531 8.707 2 U 9.241e+03 0.00e+00 e 0 1757 1761 1758 0 #N 108, HA2 108, HN 108,
1447 114.195 4.302 7.456 2 U 3.385e+03 0.00e+00 e 0 1764 1767 1765 0 #N 109, HA 109, HN 109,
1448 114.195 2.324 7.456 2 U 6.638e+03 0.00e+00 e 0 1764 1769 1765 0 #N 109, HB 109, HN 109,
1449 114.195 0.942 7.456 2 U 7.515e+03 0.00e+00 e 0 1764 1770 1765 0 #N 109, QG2 109, HN 109,
1450 114.195 1.616 7.456 2 U 3.086e+03 0.00e+00 e 0 1764 1776 1765 0 #N 109, HG12 109, HN 109,
1451 114.195 1.485 7.456 2 U 4.547e+03 0.00e+00 e 0 1764 1777 1765 0 #N 109, HG13 109, HN 109,
1452 114.195 0.916 7.456 2 U 1.738e+03 0.00e+00 e 0 1764 1779 1765 0 #N 109, QD1 109, HN 109,
1454 110.921 5.992 6.203 2 U 7.867e+03 0.00e+00 e 0 1785 1788 1786 0 #N 110, HA 110, HN 110,
1455 110.921 2.394 6.203 2 U 3.374e+03 0.00e+00 e 0 1785 1790 1786 0 #N 110, HB2 110, HN 110,
1456 110.921 2.251 6.203 2 U 3.369e+03 0.00e+00 e 0 1785 1791 1786 0 #N 110, HB3 110, HN 110,
1460 110.921 6.158 6.203 2 U 9.450e+03 0.00e+00 e 0 1785 1802 1786 0 #N 110, QD 110, HN 110,
1462 114.986 4.347 8.107 2 U 4.987e+03 0.00e+00 e 0 1808 1811 1809 0 #N 111, HA 111, HN 111,
1463 114.986 3.831 8.107 2 U 1.319e+03 0.00e+00 e 0 1808 1813 1809 0 #N 111, HB2 111, HN 111,
1464 114.986 3.724 8.107 2 U 1.054e+03 0.00e+00 e 0 1808 1814 1809 0 #N 111, HB3 111, HN 111,
1466 117.830 5.556 8.792 2 U 5.251e+03 0.00e+00 e 0 1818 1821 1819 0 #N 112, HA 112, HN 112,
1467 117.830 3.380 8.792 2 U 1.000e+02 0.00e+00 e 0 1818 1823 1819 0 #N 112, HB2 112, HN 112,
1468 117.830 3.375 8.792 2 U 1.000e+02 0.00e+00 e 0 1818 1824 1819 0 #N 112, HB3 112, HN 112,
1472 117.830 7.010 8.792 2 U 3.448e+03 0.00e+00 e 0 1818 1836 1819 0 #N 112, QD 112, HN 112,
1474 122.709 4.410 9.083 2 U 5.448e+03 0.00e+00 e 0 1841 1844 1842 0 #N 113, HA 113, HN 113,
1475 122.709 1.757 9.083 2 U 3.822e+03 0.00e+00 e 0 1841 1846 1842 0 #N 113, HB2 113, HN 113,
1476 122.709 1.645 9.083 2 U 2.614e+03 0.00e+00 e 0 1841 1847 1842 0 #N 113, HB3 113, HN 113,
1477 122.709 2.025 9.083 2 U 5.000e+02 0.00e+00 e 0 1841 1850 1842 0 #N 113, HG2 113, HN 113,
1478 122.709 1.958 9.083 2 U 9.160e+02 0.00e+00 e 0 1841 1851 1842 0 #N 113, HG3 113, HN 113,
1480 128.396 3.622 8.166 2 U 7.047e+03 0.00e+00 e 0 1856 1859 1857 0 #N 114, HA 114, HN 114,
1481 128.396 1.528 8.166 2 U 1.205e+04 0.00e+00 e 0 1856 1861 1857 0 #N 114, HB2 114, HN 114,
1482 128.396 1.288 8.166 2 U 1.404e+04 0.00e+00 e 0 1856 1862 1857 0 #N 114, HB3 114, HN 114,
1483 128.396 1.152 8.166 2 U 2.250e+03 0.00e+00 e 0 1856 1865 1857 0 #N 114, HG2 114, HN 114,
1484 128.396 0.986 8.166 2 U 1.348e+03 0.00e+00 e 0 1856 1866 1857 0 #N 114, HG3 114, HN 114,
1490 126.372 3.913 8.509 2 U 5.479e+03 0.00e+00 e 0 1881 1884 1882 0 #N 115, HA 115, HN 115,
1491 126.372 1.862 8.509 2 U 5.268e+03 0.00e+00 e 0 1881 1886 1882 0 #N 115, HB 115, HN 115,
1492 126.372 0.815 8.509 2 U 7.037e+03 0.00e+00 e 0 1881 1887 1882 0 #N 115, QG1 115, HN 115,
1493 126.372 0.796 8.509 2 U 2.750e+03 0.00e+00 e 0 1881 1888 1882 0 #N 115, QG2 115, HN 115,
1495 125.954 4.249 8.376 2 U 3.512e+03 0.00e+00 e 0 1899 1902 1900 0 #N 116, HA 116, HN 116,
1496 125.954 1.757 8.376 2 U 3.928e+03 0.00e+00 e 0 1899 1904 1900 0 #N 116, HB2 116, HN 116,
1497 125.954 1.649 8.376 2 U 1.000e+02 0.00e+00 e 0 1899 1905 1900 0 #N 116, HB3 116, HN 116,
1498 125.954 1.473 8.376 2 U 3.600e+03 0.00e+00 e 0 1899 1908 1900 0 #N 116, HG2 116, HN 116,
1499 125.954 1.401 8.376 2 U 1.009e+03 0.00e+00 e 0 1899 1909 1900 0 #N 116, HG3 116, HN 116,
1500 125.954 1.661 8.376 2 U 1.000e+02 0.00e+00 e 0 1899 1912 1900 0 #N 116, HD2 116, HN 116,
1501 125.954 1.659 8.376 2 U 1.000e+02 0.00e+00 e 0 1899 1913 1900 0 #N 116, HD3 116, HN 116,
1506 125.546 1.224 8.414 2 U 1.000e+02 0.00e+00 e 0 1924 1928 1925 0 #N 117, QB 117, HN 117,
1513 114.573 7.864 7.864 2 U 8.450e+03 0.00e+00 e 0 1951 1952 1952 0 #N 119, HN 119, HN 119,
1514 114.573 4.598 7.864 2 U 2.539e+03 0.00e+00 e 0 1951 1954 1952 0 #N 119, HA 119, HN 119,
1515 114.573 3.820 7.864 2 U 8.310e+02 0.00e+00 e 0 1951 1956 1952 0 #N 119, HB2 119, HN 119,
1516 114.573 3.811 7.864 2 U 1.436e+03 0.00e+00 e 0 1951 1957 1952 0 #N 119, HB3 119, HN 119,
1517 110.928 8.444 8.444 2 U 1.754e+04 0.00e+00 e 0 1961 1962 1962 0 #N 120, HN 120, HN 120,
1518 110.928 3.910 8.444 2 U 1.000e+02 0.00e+00 e 0 1961 1964 1962 0 #N 120, HA1 120, HN 120,
1519 110.928 3.889 8.444 2 U 1.000e+02 0.00e+00 e 0 1961 1965 1962 0 #N 120, HA2 120, HN 120,
1520 120.260 8.705 8.705 2 U 2.448e+04 0.00e+00 e 0 1968 1969 1969 0 #N 121, HN 121, HN 121,
1521 120.260 4.816 8.705 2 U 2.590e+03 0.00e+00 e 0 1968 1971 1969 0 #N 121, HA 121, HN 121,
1522 120.260 3.073 8.705 2 U 7.640e+02 0.00e+00 e 0 1968 1973 1969 0 #N 121, HB2 121, HN 121,
1523 120.260 2.940 8.705 2 U 1.763e+03 0.00e+00 e 0 1968 1974 1969 0 #N 121, HB3 121, HN 121,
1527 119.456 4.007 9.035 2 U 3.416e+03 0.00e+00 e 0 1982 1985 1983 0 #N 122, HA 122, HN 122,
1528 119.456 1.625 9.035 2 U 1.178e+03 0.00e+00 e 0 1982 1987 1983 0 #N 122, HB2 122, HN 122,
1529 119.456 1.606 9.035 2 U 4.428e+03 0.00e+00 e 0 1982 1988 1983 0 #N 122, HB3 122, HN 122,
1530 119.456 1.337 9.035 2 U 1.000e+02 0.00e+00 e 0 1982 1991 1983 0 #N 122, HG2 122, HN 122,
1531 119.456 1.334 9.035 2 U 1.000e+02 0.00e+00 e 0 1982 1992 1983 0 #N 122, HG3 122, HN 122,
1533 121.502 4.141 7.981 2 U 1.238e+03 0.00e+00 e 0 1997 2000 1998 0 #N 123, HA 123, HN 123,
1534 121.502 1.879 7.981 2 U 1.711e+03 0.00e+00 e 0 1997 2002 1998 0 #N 123, HB2 123, HN 123,
1535 121.502 1.606 7.981 2 U 1.000e+02 0.00e+00 e 0 1997 2003 1998 0 #N 123, HB3 123, HN 123,
1539 121.502 6.712 7.981 2 U 3.628e+03 0.00e+00 e 0 1997 2015 1998 0 #N 123, QD 123, HN 123,
1541 118.635 4.594 7.646 2 U 3.640e+03 0.00e+00 e 0 2020 2023 2021 0 #N 124, HA 124, HN 124,
1542 118.635 3.030 7.646 2 U 3.894e+03 0.00e+00 e 0 2020 2025 2021 0 #N 124, HB2 124, HN 124,
1543 118.635 2.829 7.646 2 U 2.256e+03 0.00e+00 e 0 2020 2026 2021 0 #N 124, HB3 124, HN 124,
1547 118.638 4.327 7.716 2 U 5.714e+03 0.00e+00 e 0 2034 2037 2035 0 #N 125, HA 125, HN 125,
1548 118.638 2.630 7.716 2 U 1.000e+02 0.00e+00 e 0 2034 2039 2035 0 #N 125, HB2 125, HN 125,
1549 118.638 2.624 7.716 2 U 1.000e+02 0.00e+00 e 0 2034 2040 2035 0 #N 125, HB3 125, HN 125,
1551 120.673 4.113 7.867 2 U 1.168e+04 0.00e+00 e 0 2045 2048 2046 0 #N 126, HA 126, HN 126,
1552 120.673 3.201 7.867 2 U 9.171e+03 0.00e+00 e 0 2045 2050 2046 0 #N 126, HB2 126, HN 126,
1553 120.673 3.146 7.867 2 U 8.539e+03 0.00e+00 e 0 2045 2051 2046 0 #N 126, HB3 126, HN 126,
1554 120.673 6.894 7.867 2 U 1.507e+03 0.00e+00 e 0 2045 2062 2046 0 #N 126, QD 126, HN 126,
1559 111.328 3.712 7.828 2 U 4.780e+03 0.00e+00 e 0 2068 2071 2069 0 #N 127, HA 127, HN 127,
1560 111.328 2.076 7.828 2 U 3.199e+03 0.00e+00 e 0 2068 2073 2069 0 #N 127, HB 127, HN 127,
1561 111.328 1.316 7.828 2 U 1.699e+04 0.00e+00 e 0 2068 2074 2069 0 #N 127, QG1 127, HN 127,
1562 111.328 1.114 7.828 2 U 7.456e+03 0.00e+00 e 0 2068 2075 2069 0 #N 127, QG2 127, HN 127,
1564 122.728 4.367 7.676 2 U 5.725e+03 0.00e+00 e 0 2086 2089 2087 0 #N 128, HA 128, HN 128,
1565 122.728 2.954 7.676 2 U 9.239e+03 0.00e+00 e 0 2086 2091 2087 0 #N 128, HB2 128, HN 128,
1566 122.728 2.742 7.676 2 U 8.730e+03 0.00e+00 e 0 2086 2092 2087 0 #N 128, HB3 128, HN 128,
1568 117.115 3.894 7.882 2 U 5.371e+03 0.00e+00 e 0 2097 2100 2098 0 #N 129, HA 129, HN 129,
1569 117.115 2.065 7.882 2 U 9.004e+03 0.00e+00 e 0 2097 2102 2098 0 #N 129, HB2 129, HN 129,
1570 117.115 2.039 7.882 2 U 9.491e+03 0.00e+00 e 0 2097 2103 2098 0 #N 129, HB3 129, HN 129,
1571 117.115 2.557 7.882 2 U 1.101e+03 0.00e+00 e 0 2097 2106 2098 0 #N 129, HG2 129, HN 129,
1572 117.115 2.366 7.882 2 U 8.040e+02 0.00e+00 e 0 2097 2107 2098 0 #N 129, HG3 129, HN 129,
1574 121.104 3.625 8.061 2 U 4.655e+03 0.00e+00 e 0 2115 2118 2116 0 #N 130, HA 130, HN 130,
1575 121.104 1.506 8.061 2 U 5.389e+03 0.00e+00 e 0 2115 2120 2116 0 #N 130, HB2 130, HN 130,
1576 121.104 1.293 8.061 2 U 5.776e+03 0.00e+00 e 0 2115 2121 2116 0 #N 130, HB3 130, HN 130,
1577 121.104 1.113 8.061 2 U 3.203e+03 0.00e+00 e 0 2115 2124 2116 0 #N 130, HG2 130, HN 130,
1578 121.104 0.888 8.061 2 U 2.373e+03 0.00e+00 e 0 2115 2125 2116 0 #N 130, HG3 130, HN 130,
1584 122.709 3.610 8.068 2 U 7.465e+03 0.00e+00 e 0 2140 2143 2141 0 #N 131, HA 131, HN 131,
1585 122.709 1.263 8.068 2 U 1.242e+04 0.00e+00 e 0 2140 2144 2141 0 #N 131, QB 131, HN 131,
1587 116.249 3.671 7.863 2 U 3.333e+03 0.00e+00 e 0 2150 2153 2151 0 #N 132, HA 132, HN 132,
1588 116.249 1.667 7.863 2 U 3.995e+03 0.00e+00 e 0 2150 2155 2151 0 #N 132, HB2 132, HN 132,
1589 116.249 1.633 7.863 2 U 7.544e+03 0.00e+00 e 0 2150 2156 2151 0 #N 132, HB3 132, HN 132,
1590 116.249 1.193 7.863 2 U 1.000e+02 0.00e+00 e 0 2150 2159 2151 0 #N 132, HG2 132, HN 132,
1591 116.249 1.187 7.863 2 U 1.000e+02 0.00e+00 e 0 2150 2160 2151 0 #N 132, HG3 132, HN 132,
1592 116.249 1.465 7.863 2 U 1.000e+02 0.00e+00 e 0 2150 2163 2151 0 #N 132, HD2 132, HN 132,
1593 116.249 1.460 7.863 2 U 1.000e+02 0.00e+00 e 0 2150 2164 2151 0 #N 132, HD3 132, HN 132,
1597 114.985 4.058 8.437 2 U 8.683e+03 0.00e+00 e 0 2175 2178 2176 0 #N 133, HA 133, HN 133,
1598 114.985 3.801 8.437 2 U 8.971e+03 0.00e+00 e 0 2175 2180 2176 0 #N 133, HB2 133, HN 133,
1599 114.985 3.759 8.437 2 U 7.798e+03 0.00e+00 e 0 2175 2181 2176 0 #N 133, HB3 133, HN 133,
1601 124.331 3.902 7.346 2 U 7.830e+03 0.00e+00 e 0 2185 2188 2186 0 #N 134, HA 134, HN 134,
1602 124.331 1.055 7.346 2 U 2.954e+04 0.00e+00 e 0 2185 2189 2186 0 #N 134, QB 134, HN 134,
1604 114.393 4.062 6.824 2 U 3.355e+03 0.00e+00 e 0 2195 2198 2196 0 #N 135, HA 135, HN 135,
1605 114.393 1.589 6.824 2 U 1.603e+03 0.00e+00 e 0 2195 2200 2196 0 #N 135, HB2 135, HN 135,
1606 114.393 1.566 6.824 2 U 4.467e+03 0.00e+00 e 0 2195 2201 2196 0 #N 135, HB3 135, HN 135,
1607 114.393 1.464 6.824 2 U 2.642e+03 0.00e+00 e 0 2195 2204 2196 0 #N 135, HG 135, HN 135,
1611 106.861 3.924 7.679 2 U 1.330e+04 0.00e+00 e 0 2217 2220 2218 0 #N 136, HA1 136, HN 136,
1612 106.861 3.696 7.679 2 U 2.275e+04 0.00e+00 e 0 2217 2221 2218 0 #N 136, HA2 136, HN 136,
1614 119.670 3.939 7.530 2 U 1.589e+03 0.00e+00 e 0 2224 2227 2225 0 #N 137, HA 137, HN 137,
1615 119.670 1.622 7.530 2 U 1.402e+04 0.00e+00 e 0 2224 2229 2225 0 #N 137, HB 137, HN 137,
1616 119.670 0.761 7.530 2 U 2.246e+03 0.00e+00 e 0 2224 2230 2225 0 #N 137, QG2 137, HN 137,
1617 119.670 1.284 7.530 2 U 5.336e+03 0.00e+00 e 0 2224 2236 2225 0 #N 137, HG12 137, HN 137,
1618 119.670 0.957 7.530 2 U 4.635e+03 0.00e+00 e 0 2224 2237 2225 0 #N 137, HG13 137, HN 137,
1619 119.670 0.744 7.530 2 U 3.306e+03 0.00e+00 e 0 2224 2239 2225 0 #N 137, QD1 137, HN 137,
1629 121.081 4.526 8.242 2 U 4.674e+03 0.00e+00 e 0 2271 2274 2272 0 #N 139, HA 139, HN 139,
1630 121.081 2.652 8.242 2 U 5.113e+03 0.00e+00 e 0 2271 2276 2272 0 #N 139, HB2 139, HN 139,
1631 121.081 2.499 8.242 2 U 5.818e+03 0.00e+00 e 0 2271 2277 2272 0 #N 139, HB3 139, HN 139,
1633 122.310 4.158 8.156 2 U 6.907e+03 0.00e+00 e 0 2282 2285 2283 0 #N 140, HA 140, HN 140,
1634 122.310 1.512 8.156 2 U 1.000e+02 0.00e+00 e 0 2282 2287 2283 0 #N 140, HB2 140, HN 140,
1635 122.310 1.467 8.156 2 U 5.036e+03 0.00e+00 e 0 2282 2288 2283 0 #N 140, HB3 140, HN 140,
1636 122.310 1.505 8.156 2 U 1.000e+02 0.00e+00 e 0 2282 2291 2283 0 #N 140, HG 140, HN 140,
1637 122.310 0.803 8.156 2 U 1.438e+03 0.00e+00 e 0 2282 2292 2283 0 #N 140, QD1 140, HN 140,
1638 122.310 0.730 8.156 2 U 1.740e+03 0.00e+00 e 0 2282 2293 2283 0 #N 140, QD2 140, HN 140,
1640 119.861 4.077 8.233 2 U 6.387e+03 0.00e+00 e 0 2304 2307 2305 0 #N 141, HA 141, HN 141,
1641 119.861 1.820 8.233 2 U 3.184e+03 0.00e+00 e 0 2304 2309 2305 0 #N 141, HB2 141, HN 141,
1642 119.861 1.794 8.233 2 U 7.250e+03 0.00e+00 e 0 2304 2310 2305 0 #N 141, HB3 141, HN 141,
1643 119.861 2.115 8.233 2 U 2.352e+03 0.00e+00 e 0 2304 2313 2305 0 #N 141, HG2 141, HN 141,
1644 119.861 2.039 8.233 2 U 2.161e+03 0.00e+00 e 0 2304 2314 2305 0 #N 141, HG3 141, HN 141,
1645 118.840 8.102 8.102 2 U 1.000e+02 0.00e+00 e 0 2319 2320 2320 0 #N 142, HN 142, HN 142,
1646 118.840 4.568 8.102 2 U 1.000e+02 0.00e+00 e 0 2319 2322 2320 0 #N 142, HA 142, HN 142,
1647 118.840 3.086 8.102 2 U 1.000e+02 0.00e+00 e 0 2319 2324 2320 0 #N 142, HB2 142, HN 142,
1648 118.840 3.067 8.102 2 U 1.000e+02 0.00e+00 e 0 2319 2325 2320 0 #N 142, HB3 142, HN 142,
1681 121.479 4.002 7.929 2 U 6.475e+03 0.00e+00 e 0 1636 1639 1637 0 #N 102, HA 102, HN 102,
1682 121.479 1.751 7.929 2 U 8.430e+03 0.00e+00 e 0 1636 1641 1637 0 #N 102, HB2 102, HN 102,
1683 121.479 1.363 7.929 2 U 1.231e+04 0.00e+00 e 0 1636 1642 1637 0 #N 102, HB3 102, HN 102,
1684 121.479 1.726 7.929 2 U 8.207e+03 0.00e+00 e 0 1636 1645 1637 0 #N 102, HG 102, HN 102,
1685 121.479 0.830 7.929 2 U 1.507e+03 0.00e+00 e 0 1636 1646 1637 0 #N 102, QD1 102, HN 102,
1686 121.479 0.817 7.929 2 U 1.293e+03 0.00e+00 e 0 1636 1647 1637 0 #N 102, QD2 102, HN 102,
1690 121.943 8.144 8.363 3 U 3.546e+03 0.00e+00 e 0 30 42 31 0 #N 3, HN 4, HN 3,
1697 127.987 8.829 8.876 3 U 0.000e+00 0.00e+00 ] 0 147 171 148 0 #N 10, HN 11, HN 10,
1705 101.947 7.549 6.997 3 U -3.869e+03 0.00e+00 e 0 266 274 267 0 #N 18, HN 19, HN 18,
1708 120.268 8.523 8.885 3 U 1.000e+02 0.00e+00 e 0 314 325 315 0 #N 21, HN 22, HN 21,
1709 118.225 8.398 8.523 3 U 2.673e+03 0.00e+00 e 0 324 349 325 0 #N 22, HN 23, HN 22,
1710 115.797 8.631 8.398 3 U 1.000e+02 0.00e+00 e 0 348 359 349 0 #N 23, HN 24, HN 23,
1717 102.443 7.646 8.666 3 U -5.491e+03 0.00e+00 e 0 468 476 469 0 #N 30, HN 31, HN 30,
1718 118.643 8.594 7.646 3 U 1.094e+03 0.00e+00 e 0 475 501 476 0 #N 31, HN 32, HN 31,
1720 127.182 7.176 9.324 3 U 8.643e+03 0.00e+00 e 0 518 536 519 0 #N 33, HN 34, HN 33,
1724 121.082 6.556 8.261 3 U 2.534e+03 0.00e+00 e 0 584 595 585 0 #N 37, HN 38, HN 37,
1725 116.614 8.754 6.556 3 U 1.028e+03 0.00e+00 e 0 594 606 595 0 #N 38, HN 39, HN 38,
1726 113.361 8.694 8.754 3 U 1.929e+03 0.00e+00 e 0 605 624 606 0 #N 39, HN 40, HN 39,
1727 112.141 8.336 8.694 3 U 4.950e+02 0.00e+00 e 0 623 631 624 0 #N 40, HN 41, HN 40,
1728 117.852 8.094 8.336 3 U 4.174e+03 0.00e+00 e 0 630 656 631 0 #N 41, HN 42, HN 41,
1729 119.492 7.702 8.172 3 U 9.176e+03 0.00e+00 e 0 685 696 686 0 #N 44, HN 45, HN 44,
1730 119.459 7.430 7.702 3 U 1.276e+04 0.00e+00 e 0 695 706 696 0 #N 45, HN 46, HN 45,
1731 118.238 7.210 7.430 3 U 4.257e+03 0.00e+00 e 0 705 716 706 0 #N 46, HN 47, HN 46,
1732 107.675 7.763 7.210 3 U 1.051e+04 0.00e+00 e 0 715 729 716 0 #N 47, HN 48, HN 47,
1734 118.225 7.030 7.485 3 U 8.311e+03 0.00e+00 e 0 786 805 787 0 #N 51, HN 52, HN 51,
1735 120.677 7.202 7.030 3 U 7.276e+03 0.00e+00 e 0 804 815 805 0 #N 52, HN 53, HN 52,
1738 119.057 7.709 8.031 3 U 2.481e+03 0.00e+00 e 0 836 858 837 0 #N 55, HN 56, HN 55,
1739 120.414 8.630 7.709 3 U 4.226e+03 0.00e+00 e 0 857 868 858 0 #N 56, HN 57, HN 56,
1740 117.425 7.399 8.630 3 U 6.925e+03 0.00e+00 e 0 867 878 868 0 #N 57, HN 58, HN 57,
1741 117.031 8.008 7.399 3 U 1.008e+04 0.00e+00 e 0 877 888 878 0 #N 58, HN 59, HN 58,
1742 117.419 8.634 8.008 3 U 5.890e+03 0.00e+00 e 0 887 910 888 0 #N 59, HN 60, HN 59,
1743 117.023 8.119 8.634 3 U 4.473e+03 0.00e+00 e 0 909 933 910 0 #N 60, HN 61, HN 60,
1744 124.325 7.944 8.119 3 U 5.151e+03 0.00e+00 e 0 932 943 933 0 #N 61, HN 62, HN 61,
1745 119.457 7.908 7.944 3 U 1.000e+02 0.00e+00 e 0 942 961 943 0 #N 62, HN 63, HN 62,
1746 119.087 7.776 7.908 3 U 7.374e+03 0.00e+00 e 0 960 986 961 0 #N 63, HN 64, HN 63,
1747 121.079 8.723 7.776 3 U 1.202e+04 0.00e+00 e 0 985 1011 986 0 #N 64, HN 65, HN 64,
1748 121.891 8.343 8.723 3 U 7.854e+03 0.00e+00 e 0 1010 1021 1011 0 #N 65, HN 66, HN 65,
1749 112.152 7.571 8.343 3 U 1.005e+04 0.00e+00 e 0 1020 1031 1021 0 #N 66, HN 67, HN 66,
1750 121.531 8.038 7.571 3 U 9.778e+03 0.00e+00 e 0 1030 1049 1031 0 #N 67, HN 68, HN 67,
1751 117.024 8.096 8.038 3 U 6.778e+03 0.00e+00 e 0 1048 1071 1049 0 #N 68, HN 69, HN 68,
1752 108.486 7.513 8.096 3 U 1.258e+04 0.00e+00 e 0 1070 1078 1071 0 #N 69, HN 70, HN 69,
1753 110.662 8.271 7.513 3 U 8.890e+02 0.00e+00 e 0 1077 1096 1078 0 #N 70, HN 71, HN 70,
1754 118.233 8.370 8.271 3 U 9.280e+02 0.00e+00 e 0 1095 1121 1096 0 #N 71, HN 72, HN 71,
1755 110.945 8.442 8.370 3 U 7.110e+02 0.00e+00 e 0 1120 1142 1121 0 #N 72, HN 73, HN 72,
1765 116.203 6.320 5.269 3 U 1.031e+04 0.00e+00 e 0 1299 1310 1300 0 #N 82, HN 83, HN 82,
1766 113.769 9.448 6.320 3 U 2.476e+03 0.00e+00 e 0 1309 1333 1310 0 #N 83, HN 84, HN 83,
1767 117.829 6.890 9.448 3 U 6.806e+03 0.00e+00 e 0 1332 1357 1333 0 #N 84, HN 85, HN 84,
1768 118.647 8.358 6.890 3 U 1.541e+04 0.00e+00 e 0 1356 1367 1357 0 #N 85, HN 86, HN 85,
1769 106.041 7.448 8.358 3 U 9.101e+03 0.00e+00 e 0 1366 1380 1367 0 #N 86, HN 87, HN 86,
1770 108.471 8.190 7.448 3 U 6.031e+03 0.00e+00 e 0 1379 1387 1380 0 #N 87, HN 88, HN 87,
1771 122.923 7.400 8.190 3 U 8.187e+03 0.00e+00 e 0 1386 1402 1387 0 #N 88, HN 89, HN 88,
1773 122.524 8.724 8.689 3 U 9.500e+01 0.00e+00 e 0 1425 1451 1426 0 #N 90, HN 91, HN 90,
1779 111.315 8.418 8.289 3 U 1.778e+04 0.00e+00 e 0 1537 1551 1538 0 #N 96, HN 97, HN 96,
1780 122.818 7.810 8.418 3 U 1.006e+04 0.00e+00 e 0 1550 1569 1551 0 #N 97, HN 98, HN 97,
1781 122.711 7.258 7.810 3 U 9.278e+03 0.00e+00 e 0 1568 1579 1569 0 #N 98, HN 99, HN 98,
1782 118.236 8.301 7.258 3 U 1.090e+04 0.00e+00 e 0 1578 1602 1579 0 #N 99, HN 100, HN 99,
1783 121.123 7.982 8.301 3 U 6.861e+03 0.00e+00 e 0 1601 1612 1602 0 #N 100, HN 101, HN 100,
1784 118.048 7.929 7.982 3 U 4.247e+03 0.00e+00 e 0 1611 1637 1612 0 #N 101, HN 102, HN 101,
1786 120.675 7.608 8.032 3 U 1.017e+04 0.00e+00 e 0 1676 1691 1677 0 #N 104, HN 105, HN 104,
1787 119.477 7.367 7.608 3 U 1.588e+04 0.00e+00 e 0 1690 1709 1691 0 #N 105, HN 106, HN 105,
1788 115.796 7.015 7.367 3 U 1.149e+04 0.00e+00 e 0 1708 1732 1709 0 #N 106, HN 107, HN 106,
1789 119.050 8.707 7.015 3 U 2.320e+03 0.00e+00 e 0 1731 1758 1732 0 #N 107, HN 108, HN 107,
1790 112.141 7.456 8.707 3 U 6.524e+03 0.00e+00 e 0 1757 1765 1758 0 #N 108, HN 109, HN 108,
1791 114.195 6.203 7.456 3 U 9.769e+03 0.00e+00 e 0 1764 1786 1765 0 #N 109, HN 110, HN 109,
1792 110.921 8.107 6.203 3 U 1.171e+03 0.00e+00 e 0 1785 1809 1786 0 #N 110, HN 111, HN 110,
1794 117.830 9.083 8.792 3 U 1.664e+03 0.00e+00 e 0 1818 1842 1819 0 #N 112, HN 113, HN 112,
1795 122.709 8.166 9.083 3 U 4.020e+02 0.00e+00 e 0 1841 1857 1842 0 #N 113, HN 114, HN 113,
1796 128.396 8.509 8.166 3 U 5.170e+02 0.00e+00 e 0 1856 1882 1857 0 #N 114, HN 115, HN 114,
1798 125.954 8.414 8.376 3 U 1.678e+03 0.00e+00 e 0 1899 1925 1900 0 #N 116, HN 117, HN 116,
1802 110.928 8.705 8.444 3 U 5.160e+02 0.00e+00 e 0 1961 1969 1962 0 #N 120, HN 121, HN 120,
1804 119.456 7.981 9.035 3 U 1.785e+03 0.00e+00 e 0 1982 1998 1983 0 #N 122, HN 123, HN 122,
1805 121.502 7.646 7.981 3 U 7.368e+03 0.00e+00 e 0 1997 2021 1998 0 #N 123, HN 124, HN 123,
1806 118.635 7.716 7.646 3 U 4.306e+03 0.00e+00 e 0 2020 2035 2021 0 #N 124, HN 125, HN 124,
1807 118.638 7.867 7.716 3 U 5.118e+03 0.00e+00 e 0 2034 2046 2035 0 #N 125, HN 126, HN 125,
1808 120.673 7.828 7.867 3 U 8.032e+03 0.00e+00 e 0 2045 2069 2046 0 #N 126, HN 127, HN 126,
1809 111.328 7.676 7.828 3 U 5.871e+03 0.00e+00 e 0 2068 2087 2069 0 #N 127, HN 128, HN 127,
1810 122.728 7.882 7.676 3 U 7.942e+03 0.00e+00 e 0 2086 2098 2087 0 #N 128, HN 129, HN 128,
1811 117.115 8.061 7.882 3 U 8.364e+03 0.00e+00 e 0 2097 2116 2098 0 #N 129, HN 130, HN 129,
1813 122.709 7.863 8.068 3 U 7.401e+03 0.00e+00 e 0 2140 2151 2141 0 #N 131, HN 132, HN 131,
1814 116.249 8.437 7.863 3 U 5.565e+03 0.00e+00 e 0 2150 2176 2151 0 #N 132, HN 133, HN 132,
1815 114.985 7.346 8.437 3 U 9.356e+03 0.00e+00 e 0 2175 2186 2176 0 #N 133, HN 134, HN 133,
1816 124.331 6.824 7.346 3 U 1.325e+04 0.00e+00 e 0 2185 2196 2186 0 #N 134, HN 135, HN 134,
1817 114.393 7.679 6.824 3 U 4.557e+03 0.00e+00 e 0 2195 2218 2196 0 #N 135, HN 136, HN 135,
1818 106.861 7.530 7.679 3 U 1.139e+04 0.00e+00 e 0 2217 2225 2218 0 #N 136, HN 137, HN 136,
1821 121.081 8.156 8.242 3 U 1.000e+02 0.00e+00 e 0 2271 2283 2272 0 #N 139, HN 140, HN 139,
1822 122.310 8.233 8.156 3 U -1.838e+03 0.00e+00 e 0 2282 2305 2283 0 #N 140, HN 141, HN 140,
1823 119.861 8.102 8.233 3 U 1.175e+03 0.00e+00 e 0 2304 2320 2305 0 #N 141, HN 142, HN 141,
6997 86.356 6.826 7.575 1 U 4.678e+04 0.00e+00 e 0 261 263 262 0 #ND2 17, HD22 17, HD21 17,
6999 86.356 2.968 7.575 1 U 3.507e+03 0.00e+00 e 0 261 257 262 0 #ND2 17, HB2 17, HD21 17,
7000 86.356 2.560 7.575 1 U 6.247e+03 0.00e+00 e 0 261 258 262 0 #ND2 17, HB3 17, HD21 17,
7002 86.356 7.575 6.826 1 U 5.318e+04 0.00e+00 e 0 261 262 263 0 #ND2 17, HD21 17, HD22 17,
7005 86.356 2.968 6.826 1 U 1.258e+03 0.00e+00 e 0 261 257 263 0 #ND2 17, HB2 17, HD22 17,
7006 86.356 2.560 6.826 1 U 1.519e+03 0.00e+00 e 0 261 258 263 0 #ND2 17, HB3 17, HD22 17,
7009 84.518 6.712 7.220 1 U 1.032e+05 0.00e+00 e 0 286 288 287 0 #NE2 19, HE22 19, HE21 19,
7011 84.518 2.201 7.220 1 U 3.135e+03 0.00e+00 e 0 286 282 287 0 #NE2 19, HG2 19, HE21 19,
7012 84.518 2.056 7.220 1 U 5.559e+03 0.00e+00 e 0 286 283 287 0 #NE2 19, HG3 19, HE21 19,
7013 84.518 1.853 7.220 1 U 1.977e+03 0.00e+00 e 0 286 278 287 0 #NE2 19, HB2 19, HE21 19,
7014 84.518 1.751 7.220 1 U 2.189e+03 0.00e+00 e 0 286 279 287 0 #NE2 19, HB3 19, HE21 19,
7016 84.518 7.220 6.712 1 U 6.046e+04 0.00e+00 e 0 286 287 288 0 #NE2 19, HE21 19, HE22 19,
7019 84.518 2.201 6.712 1 U 1.644e+03 0.00e+00 e 0 286 282 288 0 #NE2 19, HG2 19, HE22 19,
7020 84.518 2.056 6.712 1 U 3.994e+03 0.00e+00 e 0 286 283 288 0 #NE2 19, HG3 19, HE22 19,
7021 84.518 1.853 6.712 1 U 1.209e+03 0.00e+00 e 0 286 278 288 0 #NE2 19, HB2 19, HE22 19,
7044 85.322 6.819 7.403 1 U 6.483e+04 0.00e+00 e 0 1043 1045 1044 0 #NE2 67, HE22 67, HE21 67,
7045 85.322 4.025 7.403 1 U 4.070e+02 0.00e+00 e 0 1043 1033 1044 0 #NE2 67, HA 67, HE21 67,
7046 85.322 2.526 7.403 1 U 4.861e+03 0.00e+00 e 0 1043 1039 1044 0 #NE2 67, HG2 67, HE21 67,
7047 85.322 2.302 7.403 1 U 3.146e+03 0.00e+00 e 0 1043 1040 1044 0 #NE2 67, HG3 67, HE21 67,
7051 85.322 7.403 6.819 1 U 6.408e+04 0.00e+00 e 0 1043 1044 1045 0 #NE2 67, HE21 67, HE22 67,
7054 85.322 2.526 6.819 1 U 1.187e+03 0.00e+00 e 0 1043 1039 1045 0 #NE2 67, HG2 67, HE22 67,
7055 85.322 2.302 6.819 1 U 1.974e+03 0.00e+00 e 0 1043 1040 1045 0 #NE2 67, HG3 67, HE22 67,
7060 83.300 6.643 6.941 1 U 3.234e+04 0.00e+00 e 0 1563 1565 1564 0 #NE2 97, HE22 97, HE21 97,
7062 83.300 2.277 6.941 1 U 8.215e+03 0.00e+00 e 0 1563 1559 1564 0 #NE2 97, HG2 97, HE21 97,
7063 83.300 2.215 6.941 1 U 8.157e+03 0.00e+00 e 0 1563 1560 1564 0 #NE2 97, HG3 97, HE21 97,
7067 83.300 6.941 6.643 1 U 3.285e+04 0.00e+00 e 0 1563 1564 1565 0 #NE2 97, HE21 97, HE22 97,
7070 83.300 2.277 6.643 1 U 2.476e+03 0.00e+00 e 0 1563 1559 1565 0 #NE2 97, HG2 97, HE22 97,
7071 83.300 2.215 6.643 1 U 5.256e+03 0.00e+00 e 0 1563 1560 1565 0 #NE2 97, HG3 97, HE22 97,
7072 83.300 1.986 6.643 1 U 9.140e+02 0.00e+00 e 0 1563 1555 1565 0 #NE2 97, HB2 97, HE22 97,
7076 114.156 7.016 7.764 1 U 4.365e+04 0.00e+00 e 0 1685 1687 1686 0 #ND2 104, HD22 104, HD21 104,
7078 114.156 2.965 7.764 1 U 2.089e+03 0.00e+00 e 0 1685 1681 1686 0 #ND2 104, HB2 104, HD21 104,
7079 114.156 2.814 7.764 1 U 6.328e+03 0.00e+00 e 0 1685 1682 1686 0 #ND2 104, HB3 104, HD21 104,
7081 114.156 7.764 7.016 1 U 1.513e+04 0.00e+00 e 0 1685 1686 1687 0 #ND2 104, HD21 104, HD22 104,
7084 114.156 2.965 7.016 1 U 1.610e+03 0.00e+00 e 0 1685 1681 1687 0 #ND2 104, HB2 104, HD22 104,
7085 114.156 2.814 7.016 1 U 1.686e+03 0.00e+00 e 0 1685 1682 1687 0 #ND2 104, HB3 104, HD22 104,
7088 84.120 6.636 6.949 1 U 4.892e+04 0.00e+00 e 0 1703 1705 1704 0 #NE2 105, HE22 105, HE21 105,
7090 84.120 2.181 6.949 1 U 2.251e+03 0.00e+00 e 0 1703 1699 1704 0 #NE2 105, HG2 105, HE21 105,
7092 84.120 1.934 6.949 1 U 2.847e+03 0.00e+00 e 0 1703 1700 1704 0 #NE2 105, HG3 105, HE21 105,
7095 84.120 6.949 6.636 1 U 1.870e+04 0.00e+00 e 0 1703 1704 1705 0 #NE2 105, HE21 105, HE22 105,
7098 84.120 2.181 6.636 1 U 1.375e+03 0.00e+00 e 0 1703 1699 1705 0 #NE2 105, HG2 105, HE22 105,
7100 84.120 1.934 6.636 1 U 2.026e+03 0.00e+00 e 0 1703 1700 1705 0 #NE2 105, HG3 105, HE22 105,
7104 86.143 7.271 7.714 1 U 3.779e+04 0.00e+00 e 0 1977 1979 1978 0 #ND2 121, HD22 121, HD21 121,
7106 86.143 4.816 7.714 1 U 1.007e+03 0.00e+00 e 0 1977 1971 1978 0 #ND2 121, HA 121, HD21 121,
7107 86.143 3.073 7.714 1 U 3.847e+03 0.00e+00 e 0 1977 1973 1978 0 #ND2 121, HB2 121, HD21 121,
7108 86.143 2.940 7.714 1 U 5.217e+03 0.00e+00 e 0 1977 1974 1978 0 #ND2 121, HB3 121, HD21 121,
7110 86.143 7.714 7.271 1 U 3.660e+04 0.00e+00 e 0 1977 1978 1979 0 #ND2 121, HD21 121, HD22 121,
7113 86.143 3.073 7.271 1 U 3.463e+03 0.00e+00 e 0 1977 1973 1979 0 #ND2 121, HB2 121, HD22 121,
7114 86.143 2.940 7.271 1 U 2.396e+03 0.00e+00 e 0 1977 1974 1979 0 #ND2 121, HB3 121, HD22 121,
7140 129.599 6.680 10.311 1 U 1.000e+02 0.00e+00 e 0 337 345 342 0 #NE1 22, HZ2 22, HE1 22,
7143 129.599 6.688 10.311 1 U 1.000e+02 0.00e+00 e 0 337 338 342 0 #NE1 22, HD1 22, HE1 22,
7146 130.025 7.848 10.537 1 U 5.873e+03 0.00e+00 e 0 1345 1353 1350 0 #NE1 84, HZ2 84, HE1 84,
7149 130.025 7.142 10.537 1 U 8.300e+03 0.00e+00 e 0 1345 1346 1350 0 #NE1 84, HD1 84, HE1 84,
7153 128.497 7.312 9.740 1 U 5.373e+03 0.00e+00 e 0 1414 1422 1419 0 #NE1 89, HZ2 89, HE1 89,
7155 128.497 6.775 9.740 1 U 1.049e+04 0.00e+00 e 0 1414 1415 1419 0 #NE1 89, HD1 89, HE1 89,
7189 88.167 5.090 7.947 1 U 9.090e+02 0.00e+00 e 0 664 658 665 0 #ND2 42, HA 42, HD21 42,
7190 88.167 3.001 7.947 1 U 5.962e+03 0.00e+00 e 0 664 660 665 0 #ND2 42, HB2 42, HD21 42,
7191 88.167 2.730 7.947 1 U 2.398e+03 0.00e+00 e 0 664 661 665 0 #ND2 42, HB3 42, HD21 42,
7193 88.167 7.312 7.947 1 U 4.381e+04 0.00e+00 e 0 664 666 665 0 #ND2 42, HD22 42, HD21 42,
7197 88.167 7.947 7.312 1 U 3.868e+04 0.00e+00 e 0 664 665 666 0 #ND2 42, HD21 42, HD22 42,
7199 88.167 5.090 7.312 1 U 8.670e+02 0.00e+00 e 0 664 658 666 0 #ND2 42, HA 42, HD22 42,
7200 88.167 3.001 7.312 1 U 3.484e+03 0.00e+00 e 0 664 660 666 0 #ND2 42, HB2 42, HD22 42,
7201 88.167 2.730 7.312 1 U 8.600e+02 0.00e+00 e 0 664 661 666 0 #ND2 42, HB3 42, HD22 42,
7208 84.510 6.405 8.377 1 U 1.593e+04 0.00e+00 e 0 2029 2031 2030 0 #ND2 124, HD22 124, HD21 124,
7209 84.510 4.594 8.377 1 U 2.622e+03 0.00e+00 e 0 2029 2023 2030 0 #ND2 124, HA 124, HD21 124,
7210 84.510 3.030 8.377 1 U 2.414e+03 0.00e+00 e 0 2029 2025 2030 0 #ND2 124, HB2 124, HD21 124,
7214 84.510 8.377 6.405 1 U 9.853e+03 0.00e+00 e 0 2029 2030 2031 0 #ND2 124, HD21 124, HD22 124,
7268 110.514 1.316 8.829 3 U 1.105e+03 0.00e+00 e 0 170 2074 171 0 #N 11, QG1 127, HN 11,
7282 125.141 1.737 8.172 3 U 3.184e+03 0.00e+00 e 0 234 279 235 0 #N 16, HB3 19, HN 16,
7296 86.356 0.752 7.575 3 U 3.428e+03 0.00e+00 e 0 261 241 262 0 #ND2 17, QG2 16, HD21 17,
7297 86.356 0.752 6.826 3 U 8.210e+02 0.00e+00 e 0 261 241 263 0 #ND2 17, QG2 16, HD22 17,
7298 119.052 0.740 7.549 3 U 1.105e+03 0.00e+00 e 0 273 241 274 0 #N 19, QG2 16, HN 19,
7308 84.518 0.768 7.220 3 U 2.100e+03 0.00e+00 e 0 286 611 287 0 #NE2 19, QG1 39, HE21 19,
7310 84.518 0.768 6.712 3 U 4.219e+03 0.00e+00 e 0 286 611 288 0 #NE2 19, QG1 39, HE22 19,
7332 118.225 4.560 8.523 3 U 3.778e+03 0.00e+00 e 0 324 608 325 0 #N 22, HA 39, HN 22,
7339 129.599 6.476 10.311 3 U 3.022e+03 0.00e+00 e 0 337 924 342 0 #NE1 22, QE 60, HE1 22,
7340 129.599 2.508 10.311 3 U 3.937e+03 0.00e+00 e 0 337 599 342 0 #NE1 22, HB2 38, HE1 22,
7341 129.599 2.265 10.311 3 U 1.801e+03 0.00e+00 e 0 337 600 342 0 #NE1 22, HB3 38, HE1 22,
7344 115.797 2.028 8.398 3 U 1.016e+04 0.00e+00 e 0 348 871 349 0 #N 23, QB 57, HN 23,
7352 113.764 0.954 8.631 3 U 4.462e+03 0.00e+00 e 0 358 588 359 0 #N 24, QB 37, HN 24,
7353 113.764 3.730 8.631 3 U 3.083e+03 0.00e+00 e 0 358 587 359 0 #N 24, HA 37, HN 24,
7368 119.048 1.108 8.989 3 U 5.922e+03 0.00e+00 e 0 381 176 382 0 #N 25, QG2 11, HN 25,
7369 119.048 0.592 8.989 3 U 3.115e+03 0.00e+00 e 0 381 135 382 0 #N 25, QG1 9, HN 25,
7388 126.960 2.609 10.273 3 U 2.179e+03 0.00e+00 e 0 414 524 415 0 #N 27, HB3 33, HN 27,
7399 126.383 4.234 8.571 3 U 1.814e+03 0.00e+00 e 0 432 503 433 0 #N 28, HA 32, HN 28,
7409 102.443 0.177 8.666 3 U 4.856e+03 0.00e+00 e 0 468 421 469 0 #N 30, QG2 27, HN 30,
7412 118.635 0.183 7.646 3 U 8.369e+03 0.00e+00 e 0 475 421 476 0 #N 31, QG2 27, HN 31,
7418 112.547 3.623 7.176 3 U 6.240e+03 0.00e+00 e 0 535 396 536 0 #N 34, HB2 26, HN 34,
7419 112.547 0.847 7.176 3 U 1.102e+04 0.00e+00 e 0 535 506 536 0 #N 34, QG1 32, HN 34,
7435 113.361 1.191 8.754 3 U 9.830e+02 0.00e+00 e 0 605 0 606 0 #N 39, 0, HN 39,
7441 112.141 1.212 8.694 3 U 2.422e+03 0.00e+00 e 0 623 318 624 0 #N 40, QB 21, HN 40,
7454 119.459 4.418 7.702 3 U 1.248e+03 0.00e+00 e 0 695 672 696 0 #N 45, HA 43, HN 45,
7455 119.459 2.722 7.702 3 U 2.297e+03 0.00e+00 e 0 695 661 696 0 #N 45, HB3 42, HN 45,
7456 119.459 2.977 7.702 3 U 1.993e+03 0.00e+00 e 0 695 660 696 0 #N 45, HB2 42, HN 45,
7457 119.459 1.554 7.702 3 U 2.091e+03 0.00e+00 e 0 695 709 696 0 #N 45, QB 46, HN 45,
7459 119.459 0.491 7.702 3 U 1.428e+03 0.00e+00 e 0 695 808 696 0 #N 45, QB 52, HN 45,
7464 118.238 4.412 7.430 3 U 1.998e+03 0.00e+00 e 0 705 672 706 0 #N 46, HA 43, HN 46,
7468 118.259 3.368 7.763 3 U 6.940e+02 0.00e+00 e 0 728 698 729 0 #N 48, HA 45, HN 48,
7470 118.259 0.491 7.763 3 U 2.123e+03 0.00e+00 e 0 728 808 729 0 #N 48, QB 52, HN 48,
7485 120.677 1.553 7.030 3 U 1.144e+03 0.00e+00 e 0 804 734 805 0 #N 52, HB3 48, HN 52,
7507 117.031 1.132 7.399 3 U 2.379e+03 0.00e+00 e 0 877 176 878 0 #N 58, QG2 11, HN 58,
7515 117.425 3.576 8.630 3 U 1.565e+03 0.00e+00 e 0 867 329 868 0 #N 57, HB2 22, HN 57,
7535 117.419 3.647 8.008 3 U 2.769e+03 0.00e+00 e 0 887 860 888 0 #N 59, HA 56, HN 59,
7555 124.325 1.583 8.119 3 U 2.162e+03 0.00e+00 e 0 932 881 933 0 #N 61, QB 58, HN 61,
7558 124.325 2.039 8.119 3 U 1.153e+03 0.00e+00 e 0 932 871 933 0 #N 61, QB 57, HN 61,
7567 119.457 0.313 7.944 3 U 2.566e+03 0.00e+00 e 0 942 1135 943 0 #N 62, QD1 72, HN 62,
7568 119.457 3.872 7.944 3 U 2.573e+03 0.00e+00 e 0 942 890 943 0 #N 62, HA 59, HN 62,
7572 124.342 0.901 8.119 4 U 1.194e+04 0.00e+00 e 0 80 73 81 0 #N 6, QG2 5, HN 6,
7582 119.087 3.949 7.908 3 U 3.400e+03 0.00e+00 e 0 960 912 961 0 #N 63, HA 60, HN 63,
7600 121.891 3.214 8.723 3 U 2.896e+03 0.00e+00 e 0 1010 945 1011 0 #N 65, HA 62, HN 65,
7601 121.891 1.695 8.723 3 U 2.437e+03 0.00e+00 e 0 1010 991 1011 0 #N 65, HB3 64, HN 65,
7602 121.891 0.945 8.723 3 U 1.064e+03 0.00e+00 e 0 1010 936 1011 0 #N 65, QB 61, HN 65,
7612 112.152 3.386 8.343 3 U 3.585e+03 0.00e+00 e 0 1020 963 1021 0 #N 66, HA 63, HN 66,
7613 112.152 3.220 8.343 3 U 1.604e+03 0.00e+00 e 0 1020 945 1021 0 #N 66, HA 62, HN 66,
7614 112.152 0.907 8.343 3 U 8.475e+03 0.00e+00 e 0 1020 1779 1021 0 #N 66, QD1 109, HN 66,
7615 112.152 0.533 8.343 3 U 1.011e+03 0.00e+00 e 0 1020 949 1021 0 #N 66, QG2 62, HN 66,
7625 117.024 0.942 8.038 3 U 2.662e+03 0.00e+00 e 0 1048 1083 1049 0 #N 68, QG1 70, HN 68,
7626 117.024 0.818 8.038 3 U 1.692e+03 0.00e+00 e 0 1048 1084 1049 0 #N 68, QG2 70, HN 68,
7633 108.486 0.936 8.096 3 U 1.688e+03 0.00e+00 e 0 1070 1083 1071 0 #N 69, QG1 70, HN 69,
7634 108.486 0.818 8.096 3 U 1.507e+03 0.00e+00 e 0 1070 1084 1071 0 #N 69, QG2 70, HN 69,
7636 110.662 3.801 7.513 3 U 4.138e+03 0.00e+00 e 0 1077 1013 1078 0 #N 70, HA 65, HN 70,
7637 110.662 1.636 7.513 3 U 2.606e+03 0.00e+00 e 0 1077 1053 1078 0 #N 70, HB2 68, HN 70,
7638 110.662 1.476 7.513 3 U 2.049e+03 0.00e+00 e 0 1077 1014 1078 0 #N 70, QB 65, HN 70,
7639 110.662 1.262 7.513 3 U 1.585e+03 0.00e+00 e 0 1077 1054 1078 0 #N 70, HB3 68, HN 70,
7676 136.918 0.130 7.118 3 U 3.160e+03 0.00e+00 e 0 1261 1303 1262 0 #N 79, QB 82, HN 79,
7709 130.025 4.098 10.537 3 U 4.227e+03 0.00e+00 e 0 1345 1927 1350 0 #NE1 84, HA 117, HE1 84,
7710 130.025 2.994 10.537 3 U 3.163e+03 0.00e+00 e 0 1345 0 1350 0 #NE1 84, 0, HE1 84,
7718 118.647 1.381 6.890 3 U 3.963e+03 0.00e+00 e 0 1356 1372 1357 0 #N 85, QG2 86, HN 85,
7736 111.315 4.121 8.289 3 U 1.046e+03 0.00e+00 e 0 1537 1927 1538 0 #N 96, HA 117, HN 96,
7748 122.818 1.215 8.418 3 U 7.435e+03 0.00e+00 e 0 1550 1928 1551 0 #N 97, QB 117, HN 97,
7765 118.236 3.416 7.258 3 U 5.547e+03 0.00e+00 e 0 1578 1540 1579 0 #N 99, HA 96, HN 99,
7766 118.236 -0.054 7.258 3 U 1.740e+03 0.00e+00 e 0 1578 842 1579 0 #N 99, QG2 55, HN 99,
7791 120.675 3.949 8.032 3 U 2.171e+03 0.00e+00 e 0 1676 1614 1677 0 #N 104, HA 101, HN 104,
7792 120.675 1.749 8.032 3 U 1.483e+03 0.00e+00 e 0 1676 1737 1677 0 #N 104, HB3 107, HN 104,
7802 115.796 1.743 7.367 3 U 1.631e+03 0.00e+00 e 0 1708 1737 1709 0 #N 106, HB3 107, HN 106,
7829 119.050 4.519 7.015 3 U 2.396e+03 0.00e+00 e 0 1731 1679 1732 0 #N 107, HA 104, HN 107,
7836 114.195 3.647 7.456 3 U 1.431e+03 0.00e+00 e 0 1764 1734 1765 0 #N 109, HA 107, HN 109,
7862 114.986 1.340 8.107 3 U 3.970e+03 0.00e+00 e 0 1808 1132 1809 0 #N 111, HG12 72, HN 111,
7863 114.986 0.325 8.107 3 U 1.885e+03 0.00e+00 e 0 1808 1135 1809 0 #N 111, QD1 72, HN 111,
7915 118.638 4.009 7.716 3 U 1.964e+03 0.00e+00 e 0 2034 1985 2035 0 #N 125, HA 122, HN 125,
7947 121.104 3.700 8.061 3 U 3.828e+03 0.00e+00 e 0 2115 2071 2116 0 #N 130, HA 127, HN 130,
7959 124.331 3.611 7.346 3 U 2.517e+03 0.00e+00 e 0 2185 2143 2186 0 #N 134, HA 131, HN 134,
7960 114.985 3.635 8.437 3 U 1.530e+03 0.00e+00 e 0 2175 2118 2176 0 #N 133, HA 130, HN 133,
7964 119.670 4.056 7.530 3 U 2.259e+03 0.00e+00 e 0 2224 2178 2225 0 #N 137, HA 133, HN 137,
8000 125.141 7.536 8.172 3 U 6.403e+03 0.00e+00 e 0 234 274 235 0 #N 16, HN 19, HN 16,
8002 125.141 5.832 8.172 3 U 6.430e+02 0.00e+00 e 0 234 294 235 0 #N 16, HA 20, HN 16,
8010 119.052 8.155 7.549 3 U 5.257e+03 0.00e+00 e 0 273 235 274 0 #N 19, HN 16, HN 19,
8020 118.225 6.539 8.523 3 U 7.602e+03 0.00e+00 e 0 324 595 325 0 #N 22, HN 38, HN 22,
8027 113.764 6.728 8.631 3 U 8.560e+02 0.00e+00 e 0 358 409 359 0 #N 24, QD 26, HN 24,
8028 113.764 7.492 8.631 4 U 5.416e+03 0.00e+00 e 0 358 0 359 0 #N 24, 0, HN 24,
8054 126.383 7.637 8.571 3 U 5.656e+03 0.00e+00 e 0 432 476 433 0 #N 28, HN 31, HN 28,
8067 118.643 8.559 7.646 3 U 6.860e+03 0.00e+00 e 0 475 433 476 0 #N 31, HN 28, HN 31,
8077 127.182 5.115 9.324 3 U 1.628e+03 0.00e+00 e 0 518 417 519 0 #N 33, HA 27, HN 33,
8086 116.614 8.502 6.556 3 U 6.048e+03 0.00e+00 e 0 594 325 595 0 #N 38, HN 22, HN 38,
8087 116.614 5.113 6.556 3 U 6.793e+03 0.00e+00 e 0 594 351 595 0 #N 38, HA 23, HN 38,
8099 112.141 6.659 8.694 3 U 1.785e+03 0.00e+00 e 0 623 0 624 0 #N 40, 0, HN 40,
8100 112.141 6.186 8.694 3 U 3.080e+03 0.00e+00 e 0 1757 1786 1758 0 #N 108, HN 110, HN 108,
8101 112.141 5.113 8.694 3 U 6.505e+03 0.00e+00 e 0 623 317 624 0 #N 40, HA 21, HN 40,
8104 117.852 6.678 8.336 3 U 2.297e+03 0.00e+00 e 0 630 306 631 0 #N 41, QE 20, HN 41,
8116 118.225 8.426 7.485 4 U 4.493e+03 0.00e+00 e 0 786 773 787 0 #N 51, HN 50, HN 51,
8124 118.232 7.985 7.763 4 U 1.122e+04 0.00e+00 e 0 728 747 729 0 #N 48, HN 49, HN 48,
8187 121.079 8.338 7.776 3 U 1.555e+03 0.00e+00 e 0 985 1021 986 0 #N 64, HN 66, HN 64,
8211 110.945 5.984 8.370 3 U 4.433e+03 0.00e+00 e 0 1120 1788 1121 0 #N 72, HA 110, HN 72,
8221 125.587 5.138 8.442 3 U 2.901e+03 0.00e+00 e 0 1141 121 1142 0 #N 73, HA 8, HN 73,
8244 116.203 7.095 5.269 3 U 1.768e+03 0.00e+00 e 0 1299 1262 1300 0 #N 82, HN 79, HN 82,
8295 115.796 8.022 7.367 3 U 1.414e+03 0.00e+00 e 0 1708 1677 1709 0 #N 106, HN 104, HN 106,
8307 112.141 8.489 8.694 3 U 3.081e+03 0.00e+00 e 0 623 292 624 0 #N 40, HN 20, HN 40,
8315 110.921 8.698 6.203 3 U 3.016e+03 0.00e+00 e 0 1785 1758 1786 0 #N 110, HN 108, HN 110,
8340 86.143 6.704 7.714 3 U 3.647e+03 0.00e+00 e 0 1977 2015 1978 0 #ND2 121, QD 123, HD21 121,
8341 86.143 6.704 7.271 3 U 3.046e+03 0.00e+00 e 0 1977 2015 1979 0 #ND2 121, QD 123, HD22 121,
8980 119.052 0.768 7.549 3 U 3.868e+02 0.00e+00 e 0 273 611 274 0 #N 19, QG1 39, HN 19,
8981 84.518 0.740 7.220 3 U 1.020e+03 0.00e+00 e 0 286 612 287 0 #NE2 19, QG2 39, HE21 19,
8982 84.518 0.735 6.712 3 U 3.525e+03 0.00e+00 e 0 286 612 288 0 #NE2 19, QG2 39, HE22 19,
8983 117.425 3.576 8.630 3 U 1.658e+03 0.00e+00 e 0 867 330 868 0 #N 57, HB3 22, HN 57,
9114 121.479 8.571 7.929 1 U 6.654e+03 0.00e+00 e 0 1636 1659 1637 0 #N 102, HN 103, HN 102,
9115 120.675 8.571 8.032 1 U 6.753e+03 0.00e+00 e 0 1676 1659 1677 0 #N 104, HN 103, HN 104,
9116 115.796 8.033 8.571 1 U 1.200e+04 0.00e+00 e 0 1658 1677 1659 0 #N 103, HN 104, HN 103,
9117 115.796 7.929 8.571 1 U 1.106e+04 0.00e+00 e 0 1658 1637 1659 0 #N 103, HN 102, HN 103,
9118 115.796 4.328 8.571 1 U 6.655e+03 0.00e+00 e 0 1658 0 1659 0 #N 103, 0, HN 103,
9119 115.796 1.959 8.571 1 U 1.076e+04 0.00e+00 e 0 1658 0 1659 0 #N 103, 0, HN 103,
9120 115.796 1.743 8.571 1 U 9.143e+03 0.00e+00 e 0 1658 1641 1659 0 #N 103, HB2 102, HN 103,
9121 115.796 1.668 8.571 1 U 5.503e+03 0.00e+00 e 0 1658 0 1659 0 #N 103, 0, HN 103,
9122 115.796 1.369 8.571 1 U 3.405e+03 0.00e+00 e 0 1658 1642 1659 0 #N 103, HB3 102, HN 103,
9123 115.796 1.069 8.571 1 U 5.374e+03 0.00e+00 e 0 1658 0 1659 0 #N 103, 0, HN 103,
9124 115.796 0.820 8.571 1 U 2.426e+03 0.00e+00 e 0 1658 1647 1659 0 #N 103, QD2 102, HN 103,
9125 115.796 3.464 8.571 1 U 2.387e+03 0.00e+00 e 0 1658 0 1659 0 #N 103, 0, HN 103,
9126 115.796 3.888 8.571 1 U 2.172e+03 0.00e+00 e 0 1658 0 1659 0 #N 103, 0, HN 103,
9127 115.796 3.996 8.571 1 U 2.676e+03 0.00e+00 e 0 1658 1639 1659 0 #N 103, HA 102, HN 103,
9130 117.015 7.759 7.985 1 U 8.657e+03 0.00e+00 e 0 746 729 747 0 #N 49, HN 48, HN 49,
9132 118.234 7.478 8.437 1 U 4.386e+03 0.00e+00 e 0 772 787 773 0 #N 50, HN 51, HN 50,
9133 118.234 1.264 8.437 1 U 1.010e+04 0.00e+00 e 0 772 0 773 0 #N 50, 0, HN 50,
9134 117.015 2.797 7.985 1 U 1.830e+04 0.00e+00 e 0 746 749 747 0 #N 49, HA 49, HN 49,
9135 117.015 1.152 7.985 1 U 4.061e+03 0.00e+00 e 0 746 752 747 0 #N 49, HB3 49, HN 49,
9136 117.015 0.644 7.985 1 U 1.275e+03 0.00e+00 e 0 746 756 747 0 #N 49, HG3 49, HN 49,
9137 118.234 2.786 8.437 1 U 3.156e+03 0.00e+00 e 0 772 0 773 0 #N 50, 0, HN 50,
9138 118.234 2.888 8.437 1 U 5.183e+03 0.00e+00 e 0 772 0 773 0 #N 50, 0, HN 50,
9139 118.234 1.805 8.437 1 U 1.104e+04 0.00e+00 e 0 772 0 773 0 #N 50, 0, HN 50,
9144 117.015 1.261 7.985 1 U 7.990e+02 0.00e+00 e 0 746 751 747 0 #N 49, HB2 49, HN 49,
9156 117.015 0.664 7.985 1 U 4.104e+03 0.00e+00 e 0 746 755 747 0 #N 49, HG2 49, HN 49,
9171 86.356 7.000 7.575 1 U 1.000e+02 0.00e+00 e 0 261 267 262 0 #ND2 17, HN 18, HD21 17,
9181 85.322 8.038 7.403 1 U 1.000e+02 0.00e+00 e 0 1043 1049 1044 0 #NE2 67, HN 68, HE21 67,
9186 83.300 7.810 6.643 1 U 1.000e+02 0.00e+00 e 0 1563 1569 1565 0 #NE2 97, HN 98, HE22 97,
9630 115.796 8.622 7.505 1 U 7.710e+03 0.00e+00 e 0 95 0 96 0 #N 7, 0, HN 7,
9633 124.342 3.904 8.119 1 U 1.204e+04 0.00e+00 e 0 80 70 81 0 #N 6, HA 5, HN 6,
9634 124.342 3.934 8.119 1 U 8.078e+03 0.00e+00 e 0 80 72 81 0 #N 6, HB 5, HN 6,
4150 115.795 1.337 7.505 1 U 1.000e+02 0.00e+00 e 0 95 2129 96 0 #N 7, HD3 130, HN 7,
4176 125.590 -0.174 8.441 1 U 1.000e+02 0.00e+00 e 0 1141 136 1142 0 #N 73, QG2 9, HN 73,
4220 119.052 4.303 7.549 1 U 1.000e+02 0.00e+00 e 0 273 255 274 0 #N 19, HA 17, HN 19,
4221 119.052 2.967 7.549 1 U 1.000e+02 0.00e+00 e 0 273 257 274 0 #N 19, HB2 17, HN 19,
4235 117.014 6.710 8.488 1 U 1.000e+02 0.00e+00 e 0 291 288 292 0 #N 20, HE22 19, HN 20,
4243 117.014 6.691 8.488 1 U 1.000e+02 0.00e+00 e 0 291 306 292 0 #N 20, QE 20, HN 20,
4245 117.014 0.767 8.488 1 U 1.000e+02 0.00e+00 e 0 291 611 292 0 #N 20, QG1 39, HN 20,
4246 117.014 0.718 8.488 1 U 1.000e+02 0.00e+00 e 0 291 612 292 0 #N 20, QG2 39, HN 20,
4251 118.225 6.770 8.521 1 U 1.000e+02 0.00e+00 e 0 324 308 325 0 #N 22, QD 20, HN 22,
4266 113.359 5.129 8.754 1 U 1.000e+02 0.00e+00 e 0 605 317 606 0 #N 39, HA 21, HN 39,
4268 116.613 1.212 6.555 1 U 1.000e+02 0.00e+00 e 0 594 318 595 0 #N 38, QB 21, HN 38,
4272 118.225 0.956 8.521 1 U 1.000e+02 0.00e+00 e 0 324 588 325 0 #N 22, QB 37, HN 22,
4277 118.225 1.454 8.521 1 U 1.000e+02 0.00e+00 e 0 324 861 325 0 #N 22, QB 56, HN 22,
4292 116.613 1.319 6.555 1 U 1.000e+02 0.00e+00 e 0 594 352 595 0 #N 38, QB 23, HN 38,
4307 117.023 7.241 8.634 1 U 1.000e+02 0.00e+00 e 0 909 368 910 0 #N 60, QD 24, HN 60,
4320 112.545 10.179 7.176 1 U 1.000e+02 0.00e+00 e 0 535 392 536 0 #N 34, HN 26, HN 34,
4327 112.545 6.736 7.176 1 U 1.000e+02 0.00e+00 e 0 535 409 536 0 #N 34, QD 26, HN 34,
4336 118.642 5.115 7.645 1 U 1.000e+02 0.00e+00 e 0 475 417 476 0 #N 31, HA 27, HN 31,
4354 126.386 2.610 8.571 1 U 1.000e+02 0.00e+00 e 0 432 524 433 0 #N 28, HB3 33, HN 28,
4422 119.460 3.807 7.702 1 U 1.000e+02 0.00e+00 e 0 695 682 696 0 #N 45, HD3 43, HN 45,
4428 118.238 1.316 7.430 1 U 1.000e+02 0.00e+00 e 0 705 689 706 0 #N 46, QB 44, HN 46,
4431 107.671 3.388 7.210 1 U 1.000e+02 0.00e+00 e 0 715 698 716 0 #N 47, HA 45, HN 47,
4433 118.257 0.651 7.762 1 U 1.000e+02 0.00e+00 e 0 728 699 729 0 #N 48, QB 45, HN 48,
4441 117.014 4.094 7.982 1 U 1.000e+02 0.00e+00 e 0 746 718 747 0 #N 49, HA 47, HN 49,
4442 118.257 0.664 7.762 1 U 1.000e+02 0.00e+00 e 0 728 755 729 0 #N 48, HG2 49, HN 48,
4443 118.257 0.644 7.762 1 U 1.000e+02 0.00e+00 e 0 728 756 729 0 #N 48, HG3 49, HN 48,
4446 117.014 4.181 7.982 1 U 1.000e+02 0.00e+00 e 0 746 731 747 0 #N 49, HA 48, HN 49,
4455 117.014 1.927 7.982 1 U 1.000e+02 0.00e+00 e 0 746 740 747 0 #N 49, QE 48, HN 49,
4480 119.057 0.833 8.031 1 U 1.000e+02 0.00e+00 e 0 836 792 837 0 #N 55, QG1 51, HN 55,
4505 120.415 4.089 7.709 1 U 1.000e+02 0.00e+00 e 0 857 818 858 0 #N 56, HA2 53, HN 56,
4509 119.057 0.841 8.031 1 U 1.000e+02 0.00e+00 e 0 836 1293 837 0 #N 55, QD1 81, HN 55,
4511 117.031 3.188 7.398 1 U 1.000e+02 0.00e+00 e 0 877 839 878 0 #N 58, HA 55, HN 58,
4524 117.031 1.454 7.398 1 U 1.000e+02 0.00e+00 e 0 877 861 878 0 #N 58, QB 56, HN 58,
4525 117.419 1.454 8.008 1 U 1.000e+02 0.00e+00 e 0 887 861 888 0 #N 59, QB 56, HN 59,
4526 124.327 4.068 8.119 1 U 1.000e+02 0.00e+00 e 0 932 870 933 0 #N 61, HA 57, HN 61,
4527 117.419 2.032 8.008 1 U 1.000e+02 0.00e+00 e 0 887 871 888 0 #N 59, QB 57, HN 59,
4528 117.031 1.391 7.398 1 U 1.000e+02 0.00e+00 e 0 877 896 878 0 #N 58, HG 59, HN 58,
4536 124.327 3.764 8.119 1 U 1.000e+02 0.00e+00 e 0 932 880 933 0 #N 61, HA 58, HN 61,
4537 119.458 3.764 7.944 1 U 1.000e+02 0.00e+00 e 0 942 880 943 0 #N 62, HA 58, HN 62,
4540 124.327 3.867 8.119 1 U 1.000e+02 0.00e+00 e 0 932 890 933 0 #N 61, HA 59, HN 61,
4544 115.795 0.527 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 898 1659 0 #N 103, QD2 59, HN 103,
4546 117.023 0.955 8.634 1 U 1.000e+02 0.00e+00 e 0 909 936 910 0 #N 60, QB 61, HN 60,
4551 121.080 3.952 7.776 1 U 1.000e+02 0.00e+00 e 0 985 912 986 0 #N 64, HA 60, HN 64,
4556 124.327 0.595 8.119 1 U 1.000e+02 0.00e+00 e 0 932 948 933 0 #N 61, QG1 62, HN 61,
4559 121.080 3.135 7.776 1 U 1.000e+02 0.00e+00 e 0 985 935 986 0 #N 64, HA 61, HN 64,
4560 121.892 3.135 8.723 1 U 1.000e+02 0.00e+00 e 0 1010 935 1011 0 #N 65, HA 61, HN 65,
4561 121.080 0.955 7.776 1 U 1.000e+02 0.00e+00 e 0 985 936 986 0 #N 64, QB 61, HN 64,
4564 121.892 7.944 8.723 1 U 1.000e+02 0.00e+00 e 0 1010 943 1011 0 #N 65, HN 62, HN 65,
4567 121.080 0.595 7.776 1 U 1.000e+02 0.00e+00 e 0 985 948 986 0 #N 64, QG1 62, HN 64,
4568 121.080 0.540 7.776 1 U 1.000e+02 0.00e+00 e 0 985 949 986 0 #N 64, QG2 62, HN 64,
4570 121.892 0.540 8.723 1 U 1.000e+02 0.00e+00 e 0 1010 949 1011 0 #N 65, QG2 62, HN 65,
4572 115.795 0.540 7.367 1 U 1.000e+02 0.00e+00 e 0 1708 949 1709 0 #N 106, QG2 62, HN 106,
4581 119.087 1.522 7.908 1 U 1.000e+02 0.00e+00 e 0 960 973 961 0 #N 63, HD2 63, HN 63,
4583 119.087 8.723 7.908 1 U 1.000e+02 0.00e+00 e 0 960 1011 961 0 #N 63, HN 65, HN 63,
4584 121.892 7.908 8.723 1 U 1.000e+02 0.00e+00 e 0 1010 961 1011 0 #N 65, HN 63, HN 65,
4590 121.080 1.522 7.776 1 U 1.000e+02 0.00e+00 e 0 985 973 986 0 #N 64, HD2 63, HN 64,
4595 121.892 7.570 8.723 1 U 1.000e+02 0.00e+00 e 0 1010 1031 1011 0 #N 65, HN 67, HN 65,
4599 121.892 0.412 8.723 1 U 1.000e+02 0.00e+00 e 0 1010 1126 1011 0 #N 65, QG2 72, HN 65,
4602 121.532 1.477 7.570 1 U 1.000e+02 0.00e+00 e 0 1030 1014 1031 0 #N 67, QB 65, HN 67,
4603 117.023 1.477 8.039 1 U 1.000e+02 0.00e+00 e 0 1048 1014 1049 0 #N 68, QB 65, HN 68,
4612 117.023 4.122 8.039 1 U 1.000e+02 0.00e+00 e 0 1048 1023 1049 0 #N 68, HA 66, HN 68,
4614 110.659 4.122 7.513 1 U 1.000e+02 0.00e+00 e 0 1077 1023 1078 0 #N 70, HA 66, HN 70,
4618 121.532 1.354 7.570 1 U 1.000e+02 0.00e+00 e 0 1030 1057 1031 0 #N 67, HG 68, HN 67,
4621 121.532 8.096 7.570 1 U 1.000e+02 0.00e+00 e 0 1030 1071 1031 0 #N 67, HN 69, HN 67,
4623 121.532 0.939 7.570 1 U 1.000e+02 0.00e+00 e 0 1030 1770 1031 0 #N 67, QG2 109, HN 67,
4634 117.023 7.513 8.039 1 U 1.000e+02 0.00e+00 e 0 1048 1078 1049 0 #N 68, HN 70, HN 68,
4635 110.659 8.039 7.513 1 U 1.000e+02 0.00e+00 e 0 1077 1049 1078 0 #N 70, HN 68, HN 70,
4638 110.659 -0.437 7.513 1 U 1.000e+02 0.00e+00 e 0 1077 1059 1078 0 #N 70, QD2 68, HN 70,
4659 116.203 3.341 5.269 1 U 1.000e+02 0.00e+00 e 0 1299 1264 1300 0 #N 82, HA 79, HN 82,
4732 106.037 4.463 8.358 1 U 1.000e+02 0.00e+00 e 0 1366 1312 1367 0 #N 86, HA 83, HN 86,
4762 118.647 7.448 6.890 1 U 1.000e+02 0.00e+00 e 0 1356 1380 1357 0 #N 85, HN 87, HN 85,
4782 122.526 3.013 8.689 1 U 1.000e+02 0.00e+00 e 0 1425 1406 1426 0 #N 90, HB2 89, HN 90,
4787 122.526 2.950 8.689 1 U 1.000e+02 0.00e+00 e 0 1425 1442 1426 0 #N 90, HE2 90, HN 90,
4812 111.313 1.220 8.288 1 U 1.000e+02 0.00e+00 e 0 1537 1928 1538 0 #N 96, QB 117, HN 96,
4826 122.820 4.105 8.418 1 U 1.000e+02 0.00e+00 e 0 1550 1927 1551 0 #N 97, HA 117, HN 97,
4830 121.124 3.803 8.301 1 U 1.000e+02 0.00e+00 e 0 1601 1553 1602 0 #N 100, HA 97, HN 100,
4831 118.048 3.803 7.982 1 U 1.000e+02 0.00e+00 e 0 1611 1553 1612 0 #N 101, HA 97, HN 101,
4847 122.712 1.220 7.811 1 U 1.000e+02 0.00e+00 e 0 1568 1928 1569 0 #N 98, QB 117, HN 98,
4849 118.048 4.020 7.982 1 U 1.000e+02 0.00e+00 e 0 1611 1571 1612 0 #N 101, HA 98, HN 101,
4852 118.236 1.479 7.257 1 U 1.000e+02 0.00e+00 e 0 1578 1605 1579 0 #N 99, QB 100, HN 99,
4867 115.795 1.479 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 1605 1659 0 #N 103, QB 100, HN 103,
4869 118.048 1.748 7.982 1 U 1.000e+02 0.00e+00 e 0 1611 1641 1612 0 #N 101, HB2 102, HN 101,
4873 115.795 7.982 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 1612 1659 0 #N 103, HN 101, HN 103,
4874 115.795 1.825 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 1616 1659 0 #N 103, HB2 101, HN 103,
4875 115.795 1.472 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 1620 1659 0 #N 103, HG2 101, HN 103,
4880 119.477 0.816 7.607 1 U 1.000e+02 0.00e+00 e 0 1690 1647 1691 0 #N 105, QD2 102, HN 105,
4886 115.795 0.816 7.367 1 U 1.000e+02 0.00e+00 e 0 1708 1647 1709 0 #N 106, QD2 102, HN 106,
4887 115.795 7.607 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 1691 1659 0 #N 103, HN 105, HN 103,
4888 119.477 8.571 7.607 1 U 1.000e+02 0.00e+00 e 0 1690 1659 1691 0 #N 105, HN 103, HN 105,
4889 115.795 6.640 8.571 1 U 1.000e+02 0.00e+00 e 0 1658 1723 1659 0 #N 103, QE 106, HN 103,
4892 120.676 1.985 8.031 1 U 1.000e+02 0.00e+00 e 0 1676 1695 1677 0 #N 104, HB2 105, HN 104,
4899 115.795 4.516 7.367 1 U 1.000e+02 0.00e+00 e 0 1708 1679 1709 0 #N 106, HA 104, HN 106,
4916 119.050 7.607 7.015 1 U 1.000e+02 0.00e+00 e 0 1731 1691 1732 0 #N 107, HN 105, HN 107,
4937 110.919 3.647 6.202 1 U 1.000e+02 0.00e+00 e 0 1785 1734 1786 0 #N 110, HA 107, HN 110,
4940 112.139 4.302 8.706 1 U 1.000e+02 0.00e+00 e 0 1757 1767 1758 0 #N 108, HA 109, HN 108,
4941 112.139 0.939 8.706 1 U 1.000e+02 0.00e+00 e 0 1757 1770 1758 0 #N 108, QG2 109, HN 108,
4942 112.139 0.916 8.706 1 U 1.000e+02 0.00e+00 e 0 1757 1779 1758 0 #N 108, QD1 109, HN 108,
4945 110.919 3.531 6.202 1 U 1.000e+02 0.00e+00 e 0 1785 1761 1786 0 #N 110, HA2 108, HN 110,
4960 122.710 0.819 9.083 1 U 1.000e+02 0.00e+00 e 0 1841 1887 1842 0 #N 113, QG1 115, HN 113,
4961 122.710 0.796 9.083 1 U 1.000e+02 0.00e+00 e 0 1841 1888 1842 0 #N 113, QG2 115, HN 113,
4981 110.926 4.816 8.444 1 U 1.000e+02 0.00e+00 e 0 1961 1971 1962 0 #N 120, HA 121, HN 120,
5011 119.456 4.141 9.035 1 U 1.000e+02 0.00e+00 e 0 1982 2000 1983 0 #N 122, HA 123, HN 122,
5019 118.638 1.625 7.716 1 U 1.000e+02 0.00e+00 e 0 2034 1987 2035 0 #N 125, HB2 122, HN 125,
5020 118.638 1.606 7.716 1 U 1.000e+02 0.00e+00 e 0 2034 1988 2035 0 #N 125, HB3 122, HN 125,
5033 111.326 4.594 7.828 1 U 1.000e+02 0.00e+00 e 0 2068 2023 2069 0 #N 127, HA 124, HN 127,
5062 122.710 3.709 8.068 1 U 1.000e+02 0.00e+00 e 0 2140 2071 2141 0 #N 131, HA 127, HN 131,
5066 122.730 1.265 7.676 1 U 1.000e+02 0.00e+00 e 0 2086 2144 2087 0 #N 128, QB 131, HN 128,
5071 117.115 1.505 7.882 1 U 1.000e+02 0.00e+00 e 0 2097 2120 2098 0 #N 129, HB2 130, HN 129,
5091 124.333 1.265 7.345 1 U 1.000e+02 0.00e+00 e 0 2185 2144 2186 0 #N 134, QB 131, HN 134,
5097 124.333 3.672 7.345 1 U 1.000e+02 0.00e+00 e 0 2185 2153 2186 0 #N 134, HA 132, HN 134,
5104 114.984 1.055 8.437 1 U 1.000e+02 0.00e+00 e 0 2175 2189 2176 0 #N 133, QB 134, HN 133,
5105 114.984 6.824 8.437 1 U 1.000e+02 0.00e+00 e 0 2175 2196 2176 0 #N 133, HN 135, HN 133,
5112 124.333 1.589 7.345 1 U 1.000e+02 0.00e+00 e 0 2185 2200 2186 0 #N 134, HB2 135, HN 134,
5115 124.333 0.760 7.345 1 U 1.000e+02 0.00e+00 e 0 2185 2206 2186 0 #N 134, QD2 135, HN 134,
5116 106.857 1.055 7.678 1 U 1.000e+02 0.00e+00 e 0 2217 2189 2218 0 #N 136, QB 134, HN 136,
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 N 15 all . 26 . . . 16807 2
2 H 1 all . 12 . . . 16807 2
3 H 1 all . 12 . . . 16807 2
stop_
save_