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6e13_ligand
     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
   -3.3115    1.4235   -2.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976    0.9300   -1.5288 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8648   -0.5865   -1.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579   -1.2136   -1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -0.7131   -1.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -1.2702   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    1.2047   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985    1.2646    1.2377 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3623    2.3141    1.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665   -2.3954    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -2.9132    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186   -2.3317   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9879    1.3152   -0.0696 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.6564    1.7053    2.1208 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.5559    1.0206   -3.3565 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9527    2.1880   -1.4058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475    2.0005    0.8145 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.7707    3.3569    1.9010 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136   -3.0175    0.8265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151   -4.0022    1.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730   -0.5096   -0.7292 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    1.4756   -1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794   -1.0687   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -0.8386   -2.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    0.1272   -1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247    1.8179   -0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    1.5891   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412    0.3189    1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011   -2.7649   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664    2.1046   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642    1.6684    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551    0.6020    0.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    1.5749    1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4536    2.7296    2.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5666    1.3256    3.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229   -2.6795    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0152   -4.2667    1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  1 15  1  0
  1 16  2  0
  3  2  1  0
  2 13  1  0
  4  3  1  0
  5  4  2  0
  4 12  1  0
  6  5  1  0
  6 10  2  0
 21  6  1  0
  7  8  1  0
  7 21  1  0
  8  9  1  0
  8 14  1  0
  9 17  1  0
  9 18  2  0
 10 11  1  0
 10 19  1  0
 11 12  2  0
 11 20  1  0
  2 22  1  6
  3 23  1  0
  3 24  1  0
  5 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  1
 12 29  1  0
 13 30  1  0
 13 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 14 35  1  0
 19 36  1  0
 20 37  1  0
M  CHG  4  13   1  14   1  15  -1  17  -1
M  END
>  <_TriposChargeType>  (1) 
GAST_HUCK

$$$$