HEADER
REMARK Thiamin_3668
HETATM    1  S           1      -1.108  -2.732   1.591                       S
HETATM    2  O           1       3.034  -4.399  -0.112                       O
HETATM    3  N           1       0.413   3.653   0.657                       N
HETATM    4  N           1      -0.850  -0.237   1.336                       N
HETATM    5  N           1       0.032   3.369  -1.599                       N
HETATM    6  N           1      -1.360   1.648  -2.488                       N
HETATM    7  C           1       1.887  -3.586  -0.205                       C
HETATM    8  C           1       1.673  -3.018   1.210                       C
HETATM    9  C           1      -1.214   1.216   1.263                       C
HETATM   10  C           1      -0.257   3.194  -4.006                       C
HETATM   11  C           1       1.611   0.189   0.936                       C
HETATM   12  C           1      -0.535   2.709  -2.614                       C
HETATM   13  C           1      -0.208   2.945  -0.349                       C
HETATM   14  C           1       0.496  -2.094   1.316                       C
HETATM   15  C           1       0.455  -0.728   1.196                       C
HETATM   16  C           1      -1.000   1.798  -0.110                       C
HETATM   17  C           1      -1.768  -1.174   1.547                       C
HETATM   18  C           1      -1.568   1.220  -1.247                       C
HETATM   19  H           1       3.217  -4.791  -0.980                       H
HETATM   20  H           1       0.872   4.492   0.317                       H
HETATM   21  H           1      -0.087   3.801   1.524                       H
HETATM   22  H           1       0.995  -4.155  -0.516                       H
HETATM   23  H           1       2.017  -2.758  -0.921                       H
HETATM   24  H           1       1.564  -3.858   1.904                       H
HETATM   25  H           1       2.583  -2.488   1.508                       H
HETATM   26  H           1      -2.256   1.272   1.591                       H
HETATM   27  H           1      -0.607   1.719   2.018                       H
HETATM   28  H           1       0.044   2.358  -4.645                       H
HETATM   29  H           1      -1.173   3.611  -4.441                       H
HETATM   30  H           1       0.517   3.962  -4.001                       H
HETATM   31  H           1       1.643   0.496  -0.114                       H
HETATM   32  H           1       1.564   1.099   1.542                       H
HETATM   33  H           1       2.547  -0.321   1.169                       H
HETATM   34  H           1      -2.817  -0.949   1.682                       H
HETATM   35  H           1      -2.219   0.349  -1.150                       H
CONECT    1   14   17
CONECT    2    7   19
CONECT    3   13   20   21
CONECT    4    9   15   17
CONECT    5   12   13
CONECT    6   12   18
CONECT    7    2    8   22   23
CONECT    8    7   14   24   25
CONECT    9    4   16   26   27
CONECT   10   12   28   29   30
CONECT   11   15   31   32   33
CONECT   12    5    6   10
CONECT   13    3    5   16
CONECT   14    1    8   15
CONECT   15    4   11   14
CONECT   16    9   13   18
CONECT   17    1    4   34
CONECT   18    6   16   35
CONECT   19    2
CONECT   20    3
CONECT   21    3
CONECT   22    7
CONECT   23    7
CONECT   24    8
CONECT   25    8
CONECT   26    9
CONECT   27    9
CONECT   28   10
CONECT   29   10
CONECT   30   10
CONECT   31   11
CONECT   32   11
CONECT   33   11
CONECT   34   17
CONECT   35   18
END