@<TRIPOS>MOLECULE
BindingDB_16119
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        33.2735   13.5592   63.1978  C     
2    C        32.4699   10.9056   62.4809  C     
3    C        33.0159   11.1936   63.7579  C     
4    C        33.3937   12.5009   64.1190  C     
5    C        32.7074   13.2936   61.9313  C     
6    C        32.3137   11.9899   61.5814  C     
7    C        32.0918    9.5708   62.1118  C     
8    C        31.3460    6.9174   61.3853  C     
9    C        31.1435    7.3736   62.6978  C     
10   C        31.5077    8.6870   63.0540  C     
11   C        32.2860    9.0852   60.7919  C     
12   C        31.9052    7.7781   60.4303  C     
13   N        33.6459   14.8137   63.5824  N     
14   C        34.5511   15.5965   63.0043  C     
15   O        35.1869   15.1790   62.0385  O     
16   C        34.7502   16.9133   63.4273  C     
17   C        34.5885   17.4499   64.7409  C     
18   C        34.7274   18.8470   64.8029  C     
19   C        35.0720   17.9049   62.4786  C     
20   S        35.0991   19.4400   63.2382  S     
21   C        34.3672   16.7366   65.9438  C     
22   O        33.5278   17.2133   66.8935  O     
23   O        35.1439   15.6904   66.3032  O     
24   H        33.1627   10.4465   64.4413  H     
25   H        33.7850   12.6711   65.0491  H     
26   H        32.5680   14.0531   61.2606  H     
27   H        31.8949   11.8448   60.6596  H     
28   H        31.0765    5.9671   61.1248  H     
29   H        30.7224    6.7534   63.3957  H     
30   H        31.3207    8.9926   64.0138  H     
31   H        32.7215    9.6734   60.0763  H     
32   H        32.0421    7.4491   59.4712  H     
33   H        33.2230   15.1517   64.3869  H     
34   H        34.6584   19.4361   65.6361  H     
35   H        35.2170   17.7675   61.4748  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   13 1
     4    2    3 1
     5    2    6 2
     6    2    7 1
     7    3    4 2
     8    5    6 1
     9    7   10 1
    10    7   11 2
    11    8    9 1
    12    8   12 2
    13    9   10 2
    14   11   12 1
    15   13   14 am
    16   14   15 2
    17   14   16 1
    18   16   17 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   18   20 1
    23   19   20 1
    24   21   22 2
    25   21   23 1
    26    3   24 1
    27    4   25 1
    28    5   26 1
    29    6   27 1
    30    8   28 1
    31    9   29 1
    32   10   30 1
    33   11   31 1
    34   12   32 1
    35   13   33 1
    36   18   34 1
    37   19   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7889
  Crash		| -0.5225
  Polar		| 4.5652
  FragIndex	| 1
  FragRMSD	| 0.733