annotate test-data/rdock/1sj0_ligand.sd @ 2:0faa03a92843 draft default tip

Uploaded

LIGAND
 OpenBabel03061313403D

 63 67  0  0  1  0  0  0  0  0999 V2000
   31.1720   -0.2380   28.7070 C   0  0  2  0  0  0  0  0  0  0  0  0
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   32.0203   -2.2068   28.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0500   -2.3690   28.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8610   -1.9480   27.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.1542   -3.9573   27.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7240   -2.5350   27.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.6080    0.4570   28.1910 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.4700    0.4800   28.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
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   31.8675    1.6111   26.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
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   34.0953    2.6824   26.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9760    1.6980   28.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1910    2.2510   27.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.6300   -1.8400   26.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.5750   -4.8437   20.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8000   -4.0120   20.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4248   -4.9327   19.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$