File: test38.xyz

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rdkit 202209.3-1
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file content (63 lines) | stat: -rw-r--r-- 2,525 bytes parent folder | download | duplicates (10)
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Cc1cn(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OC3OC(C)C([NH3+])C(O)C3O)O2)c(=O)[nH]c1=O
C      6.008160    5.464045    1.491362
C      5.356365    4.332426    0.745865
C      4.907330    3.193701    1.423140
N      4.296736    2.171531    0.750384
C      3.858447    0.980082    1.507447
C      4.796627   -0.204344    1.266816
C      3.884707   -1.295289    0.762308
O      4.150373   -2.521075    1.392572
C      2.498049   -0.785857    1.137001
C      1.414961   -1.263377    0.159762
O      1.387351   -2.675906    0.094756
P      0.109685   -3.280611    1.052736
O      0.331193   -2.892932    2.498195
O      0.108034   -4.968221    0.923073
O     -1.360118   -2.632154    0.487895
P     -2.634393   -3.463362    1.254531
O     -2.735792   -4.873636    0.715678
O     -2.387036   -3.526688    2.927841
O     -4.104967   -2.640938    0.972506
C     -4.303873   -2.481875   -0.419279
O     -3.395599   -1.520842   -0.948065
C     -3.819561   -0.198894   -0.678879
C     -2.642737    0.743703   -0.939941
C     -5.046612    0.159250   -1.569725
N     -5.839371    1.230465   -0.948133
C     -5.933045   -1.097152   -1.826630
O     -5.636451   -1.689199   -3.070138
C     -5.795053   -2.118035   -0.681088
O     -6.542468   -3.268990   -0.979943
O      2.544534    0.620093    1.138831
C      4.141901    2.255859   -0.612260
O      3.609983    1.311924   -1.258752
N      4.565606    3.360394   -1.284751
C      5.161125    4.395649   -0.638127
O      5.537091    5.406978   -1.291312
H      6.987789    5.706132    1.027812
H      6.184607    5.202917    2.556516
H      5.354718    6.360676    1.450750
H      5.050545    3.129991    2.495946
H      3.841796    1.200612    2.600128
H      5.286714   -0.499464    2.221624
H      5.586687    0.022913    0.517349
H      3.985743   -1.389616   -0.345148
H      4.984500   -2.871441    0.983998
H      2.234571   -1.125234    2.164204
H      0.439101   -0.795120    0.426170
H      1.656627   -0.881143   -0.855103
H     -4.113960   -3.440292   -0.956169
H     -4.084032   -0.092554    0.400151
H     -1.787506    0.460405   -0.290204
H     -2.316735    0.675263   -1.999816
H     -2.918598    1.793668   -0.710348
H     -4.687285    0.528272   -2.558318
H     -5.242905    2.071408   -0.777911
H     -6.245636    0.908139   -0.039587
H     -6.615759    1.514325   -1.589065
H     -7.001098   -0.789821   -1.871997
H     -4.668428   -1.903126   -3.091184
H     -6.220091   -1.638581    0.232913
H     -6.615405   -3.787339   -0.136169
H      4.432860    3.412285   -2.320991