@<TRIPOS>MOLECULE
BindingDB_30190
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3336   62.5330  193.5958  C     
2    C        29.6410   61.7254  194.7159  C     
3    N        30.7466   62.0497  195.4358  N     
4    C        31.5770   63.0681  195.1209  C     
5    C        31.3321   63.8489  193.9811  C     
6    C        30.1789   63.5991  193.2004  C     
7    C        29.8965   64.4095  192.0666  C     
8    C        30.1305   65.9188  190.4748  C     
9    N        30.7114   65.3378  191.5358  N     
10   C        28.7367   64.3860  191.2812  C     
11   C        29.6879   67.3224  188.4165  C     
12   C        30.6670   66.9559  189.5840  C     
13   C        28.8854   65.3401  190.2885  C     
14   C        28.0500   65.7072  189.2599  C     
15   N        28.4262   66.6330  188.3891  N     
16   O        26.9590   65.1753  189.1189  O     
17   C        28.8559   60.6137  195.1424  C     
18   C        28.1269   59.0978  196.9373  C     
19   C        27.2732   58.4307  196.0457  C     
20   C        27.2269   58.8160  194.6957  C     
21   C        28.0188   59.8909  194.2492  C     
22   C        28.9062   60.1781  196.4928  C     
23   Cl       26.2026   58.0098  193.6171  Cl    
24   H        28.4765   62.3479  193.0743  H     
25   H        32.3660   63.2729  195.7232  H     
26   H        31.9898   64.5876  193.7337  H     
27   H        31.6073   65.5536  191.8513  H     
28   H        27.9189   63.7925  191.4016  H     
29   H        29.4739   68.3957  188.4534  H     
30   H        30.1805   67.1263  187.4596  H     
31   H        30.8826   67.8460  190.1830  H     
32   H        31.6091   66.5850  189.1736  H     
33   H        27.8089   66.8544  187.6770  H     
34   H        28.1750   58.8011  197.9118  H     
35   H        26.7045   57.6521  196.3780  H     
36   H        28.0039   60.1162  193.2525  H     
37   H        29.4927   60.6603  197.1795  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   20   23 1
    27    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   19   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.1597
  Crash		| -3.4573
  Polar		| 0.8999
  FragIndex	| 1
  FragRMSD	| 1.162