@<TRIPOS>MOLECULE
BindingDB_15695
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.6702   55.1245   57.9895  C     
2    C        43.9867   55.1255   58.4823  C     
3    C        44.4139   54.1003   59.3451  C     
4    C        43.5231   53.0761   59.7136  C     
5    C        42.1915   53.0396   59.2185  C     
6    C        41.7858   54.0952   58.3567  C     
7    C        39.8886   52.1741   59.4528  C     
8    C        41.5969   50.8745   60.1465  C     
9    C        40.4698   50.0943   60.5571  C     
10   C        39.2601   51.0030   60.2514  C     
11   N        41.2989   52.0500   59.6133  N     
12   O        42.7216   50.4034   60.2327  O     
13   C        38.5120   51.4507   61.4274  C     
14   O        39.0676   52.2048   62.2161  O     
15   N        37.2448   51.0854   61.5749  N     
16   C        36.2660   51.5500   62.4119  C     
17   C        35.1008   50.7543   62.5236  C     
18   C        33.9719   51.2143   63.2289  C     
19   C        33.9930   52.4888   63.8246  C     
20   C        35.1501   53.2844   63.7446  C     
21   C        36.2768   52.8193   63.0455  C     
22   Cl       32.5702   50.2671   63.3285  Cl    
23   H        42.3481   55.8671   57.3629  H     
24   H        44.6386   55.8647   58.2172  H     
25   H        45.3682   54.1082   59.7176  H     
26   H        43.8519   52.3694   60.3776  H     
27   H        40.8405   54.1188   57.9700  H     
28   H        39.6418   52.0717   58.3939  H     
29   H        39.5415   53.1564   59.7947  H     
30   H        40.4269   49.1740   59.9689  H     
31   H        40.5523   49.8302   61.6124  H     
32   H        38.5869   50.4538   59.5810  H     
33   H        36.9449   50.4076   60.9476  H     
34   H        35.0620   49.8398   62.0649  H     
35   H        33.1529   52.8509   64.2764  H     
36   H        35.1632   54.2184   64.1627  H     
37   H        37.0733   53.4492   62.9527  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   11 1
     8    7   10 1
     9    7   11 1
    10    8    9 1
    11    8   11 1
    12    8   12 2
    13    9   10 1
    14   10   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    6   27 1
    30    7   28 1
    31    7   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   15   33 1
    36   17   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.6518
  Crash		| -2.0500
  Polar		| 0.4319
  FragIndex	| 1
  FragRMSD	| 1.196