@<TRIPOS>MOLECULE
BindingDB_7702
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8299   49.6624   15.1754  C     
2    C        -7.4191   50.2366   16.4115  C     
3    C        -7.7140   51.5723   16.7443  C     
4    C        -8.4424   52.3776   15.8539  C     
5    C        -8.6168   50.4748   14.2944  C     
6    C        -9.2118   50.3183   13.0388  C     
7    C        -8.8861   51.8059   14.6530  C     
8    N        -9.5820   52.3910   13.6800  N     
9    C        -9.7663   51.5208   12.7163  C     
10   O       -10.3926   51.8317   11.7122  O     
11   N        -9.7767   49.1120   11.0621  N     
12   C        -9.7059   48.0776   10.1795  C     
13   C        -9.6103   46.0924    8.1312  C     
14   C       -10.2940   47.3080    7.9209  C     
15   C       -10.3369   48.2856    8.9311  C     
16   C        -9.0423   46.8404   10.3887  C     
17   C        -8.9933   45.8624    9.3768  C     
18   O       -10.9699   44.4771    6.4602  O     
19   S        -9.4867   44.9162    6.8482  S     
20   O        -8.8064   45.6101    5.5874  O     
21   N        -8.6109   43.5383    7.2419  N     
22   C        -7.4208   48.2676   14.8426  C     
23   C        -9.2602   49.1940   12.2932  C     
24   O        -6.4098   47.6897   15.6655  O     
25   H        -6.8886   49.6951   17.0932  H     
26   H        -7.3808   51.9624   17.6291  H     
27   H        -8.6394   53.3562   16.0702  H     
28   H        -9.9130   53.3119   13.6934  H     
29   H       -10.2392   49.9024   10.7383  H     
30   H       -10.7655   47.4903    7.0301  H     
31   H       -10.8265   49.1651    8.7413  H     
32   H        -8.5692   46.6359   11.2657  H     
33   H        -8.4964   44.9875    9.5556  H     
34   H        -8.7076   42.7390    6.6955  H     
35   H        -7.7958   43.6490    7.7656  H     
36   H        -8.2962   47.6186   14.9062  H     
37   H        -7.0249   48.2460   13.8214  H     
38   H        -8.9034   48.3714   12.6853  H     
39   H        -5.6337   48.2833   15.5700  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   23 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   23 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   22   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    8   28 1
    31   11   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   21   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0541
  Crash		| -1.0587
  Polar		| 3.0566
  FragIndex	| 1
  FragRMSD	| 0.854