@<TRIPOS>MOLECULE
BindingDB_13460
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.9258   14.1149   15.9393  C     
2    C        43.2799   15.0391   15.1083  C     
3    C        42.1597   14.6473   14.3545  C     
4    C        41.6495   13.3398   14.4817  C     
5    N        41.5400   15.5635   13.5903  N     
6    O        43.5368   16.7484   12.1372  O     
7    S        42.0981   15.8711   12.0325  S     
8    O        42.3960   14.4484   11.1733  O     
9    O        40.9739   16.8336   11.2268  O     
10   C        42.2500   12.4181   15.3711  C     
11   C        43.4137   12.8036   16.0726  C     
12   C        41.6156   11.0933   15.6179  C     
13   C        44.1027   11.7947   16.9021  C     
14   C        43.1125   10.8365   17.6390  C     
15   N        42.0624   10.3007   16.7697  N     
16   C        42.5421   11.4614   18.8336  C     
17   O        43.1200   11.3198   19.9105  O     
18   N        41.4333   12.1913   18.7569  N     
19   C        40.8047   12.8649   19.8415  C     
20   C        41.4626    9.1220   17.0697  C     
21   O        41.8250    8.4913   18.0597  O     
22   C        40.3690    8.4711   16.3482  C     
23   C        39.8364    6.7331   14.6127  C     
24   C        39.3176    6.3762   12.2436  C     
25   C        40.2312    6.7241   13.2544  C     
26   C        38.5039    6.3902   14.9326  C     
27   C        37.5769    6.0538   13.9250  C     
28   C        37.9921    6.0458   12.5754  C     
29   O        36.2992    5.7467   14.2744  O     
30   C        40.7861    7.1331   15.6782  C     
31   H        44.7628   14.4063   16.4577  H     
32   H        43.6399   15.9968   15.0462  H     
33   H        40.8054   13.0795   13.9649  H     
34   H        41.2187   16.3550   14.0580  H     
35   H        40.5541   11.2956   15.7629  H     
36   H        41.7432   10.5070   14.7074  H     
37   H        44.7103   11.1902   16.2227  H     
38   H        44.7769   12.2570   17.6283  H     
39   H        43.7584   10.0053   17.9541  H     
40   H        41.0185   12.2691   17.8874  H     
41   H        40.4999   12.1504   20.6074  H     
42   H        39.9153   13.3794   19.4688  H     
43   H        41.4766   13.6050   20.2796  H     
44   H        39.5506    8.2801   17.0549  H     
45   H        39.9577    9.1195   15.5710  H     
46   H        39.6115    6.3781   11.2683  H     
47   H        41.1817    6.9944   12.9829  H     
48   H        38.1898    6.4008   15.9109  H     
49   H        37.3305    5.8047   11.8366  H     
50   H        35.7388    6.0122   13.5159  H     
51   H        41.7966    7.2424   15.2630  H     
52   H        40.8383    6.3380   16.4310  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   30 1
    25   23   25 2
    26   23   26 1
    27   23   30 1
    28   24   25 1
    29   24   28 2
    30   26   27 2
    31   27   28 1
    32   27   29 1
    33    1   31 1
    34    2   32 1
    35    4   33 1
    36    5   34 1
    37   12   35 1
    38   12   36 1
    39   13   37 1
    40   13   38 1
    41   14   39 1
    42   18   40 1
    43   19   41 1
    44   19   42 1
    45   19   43 1
    46   22   44 1
    47   22   45 1
    48   24   46 1
    49   25   47 1
    50   26   48 1
    51   28   49 1
    52   29   50 1
    53   30   51 1
    54   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7354
  Crash		| -1.2194
  Polar		| 5.7357
  FragIndex	| 1
  FragRMSD	| 0.757