PDB Code: A77
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
RESIDUE A77 116
CONECT C1 3 O2 N3 N21
CONECT O2 1 C1
CONECT N3 3 C1 C4 C5
CONECT C4 4 N3 H12 H13 H14
CONECT C5 4 N3 C6 H15 H16
CONECT C6 3 C5 C7 N8
CONECT C7 3 C6 C9 H17
CONECT N8 2 C6 C10
CONECT C9 3 C7 C11 H18
CONECT C10 3 N8 C11 H19
CONECT C11 3 C9 C10 H20
CONECT N21 3 C1 C22 H28
CONECT C22 4 N21 C23 C25 H29
CONECT C23 3 C22 O24 N37
CONECT O24 1 C23
CONECT C25 4 C22 C26 C27 H30
CONECT C26 4 C25 H31 H32 H33
CONECT C27 4 C25 H34 H35 H36
CONECT N37 3 C23 C38 H59
CONECT C38 4 N37 C39 C46 H60
CONECT C39 4 C38 C40 H61 H62
CONECT C40 3 C39 C41 C45
CONECT C41 3 C40 C42 H63
CONECT C42 3 C41 C43 H64
CONECT C43 3 C42 C44 H65
CONECT C44 3 C43 C45 H66
CONECT C45 3 C40 C44 H67
CONECT C46 4 C38 O47 C49 H68
CONECT O47 2 C46 H69
CONECT O48 2 C49 H70
CONECT C49 4 C46 O48 C51 H71
CONECT N50 3 C51 C83 H72
CONECT C51 4 C49 N50 C52 H73
CONECT C52 4 C51 C53 H74 H75
CONECT C53 3 C52 C54 C58
CONECT C54 3 C53 C55 H76
CONECT C55 3 C54 C56 H77
CONECT C56 3 C55 C57 H78
CONECT C57 3 C56 C58 H79
CONECT C58 3 C53 C57 H80
CONECT N81 3 C82 C97 H88
CONECT C82 4 N81 C83 C85 H89
CONECT C83 3 N50 C82 O84
CONECT O84 1 C83
CONECT C85 4 C82 C86 C87 H90
CONECT C86 4 C85 H91 H92 H93
CONECT C87 4 C85 H94 H95 H96
CONECT C97 3 N81 O98 N99
CONECT O98 1 C97
CONECT N99 3 C97 C2 C3
CONECT C2 4 N99 H1 H10 H11
CONECT C3 4 N99 C8 H2 H3
CONECT C8 3 C3 C12 N10
CONECT C12 3 C8 C13 H4
CONECT N10 2 C8 C14
CONECT C13 3 C12 C15 H5
CONECT C14 3 N10 C15 H6
CONECT C15 3 C13 C14 H7
CONECT H1 1 C2
CONECT H2 1 C3
CONECT H3 1 C3
CONECT H4 1 C12
CONECT H5 1 C13
CONECT H6 1 C14
CONECT H7 1 C15
CONECT H10 1 C2
CONECT H11 1 C2
CONECT H12 1 C4
CONECT H13 1 C4
CONECT H14 1 C4
CONECT H15 1 C5
CONECT H16 1 C5
CONECT H17 1 C7
CONECT H18 1 C9
CONECT H19 1 C10
CONECT H20 1 C11
CONECT H28 1 N21
CONECT H29 1 C22
CONECT H30 1 C25
CONECT H31 1 C26
CONECT H32 1 C26
CONECT H33 1 C26
CONECT H34 1 C27
CONECT H35 1 C27
CONECT H36 1 C27
CONECT H59 1 N37
CONECT H60 1 C38
CONECT H61 1 C39
CONECT H62 1 C39
CONECT H63 1 C41
CONECT H64 1 C42
CONECT H65 1 C43
CONECT H66 1 C44
CONECT H67 1 C45
CONECT H68 1 C46
CONECT H69 1 O47
CONECT H70 1 O48
CONECT H71 1 C49
CONECT H72 1 N50
CONECT H73 1 C51
CONECT H74 1 C52
CONECT H75 1 C52
CONECT H76 1 C54
CONECT H77 1 C55
CONECT H78 1 C56
CONECT H79 1 C57
CONECT H80 1 C58
CONECT H88 1 N81
CONECT H89 1 C82
CONECT H90 1 C85
CONECT H91 1 C86
CONECT H92 1 C86
CONECT H93 1 C86
CONECT H94 1 C87
CONECT H95 1 C87
CONECT H96 1 C87
END
HET A77 116
HETNAM A77 A-77003(C2 SYMMETRY-BASED DIOL)
FORMUL A77 C44 H58 N8 O6