File: test22.xyz

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rdkit 202209.3-1
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file content (18 lines) | stat: -rw-r--r-- 662 bytes parent folder | download | duplicates (15)
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C[NH+]=CC=C([O-])C
C     -2.940218   -0.030925    0.246343
N     -1.503905   -0.252074    0.121591
C     -0.740729    0.621346   -0.468940
C      0.711950    0.420845   -0.645119
C      1.513332   -0.145924    0.268624
O      1.020725   -0.556482    1.503498
C      2.976692   -0.295487   -0.007459
H     -3.398058    0.076758   -0.760321
H     -3.411451   -0.894954    0.760934
H     -3.132475    0.886775    0.842318
H     -1.113099   -1.149587    0.485354
H     -1.182731    1.497441   -0.930166
H      1.153570    0.825287   -1.548371
H      3.132395   -0.815478   -0.976686
H      3.456257    0.705344   -0.044944
H      3.457743   -0.892887    0.795342