@<TRIPOS>MOLECULE
BindingDB_14652
 51 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.7686   -3.9960   16.9626  C     
2    C         7.0371   -3.9718   16.3341  C     
3    C         8.0630   -3.0981   16.7877  C     
4    C         7.8020   -2.2525   17.8885  C     
5    C         5.4962   -3.1171   18.0356  C     
6    C         6.5344   -2.2974   18.4826  C     
7    C         4.3755   -2.8349   18.8352  C     
8    C         4.7957   -1.8789   19.6878  C     
9    N         6.0559   -1.5540   19.4635  N     
10   O         4.1613   -1.1621   20.4415  O     
11   C         3.1761   -3.4473   18.7044  C     
12   C         9.3193   -3.0016   16.1471  C     
13   C        10.2159   -4.0953   16.1229  C     
14   C        11.5158   -3.9508   15.6001  C     
15   C        11.9456   -2.7015   15.1092  C     
16   C        11.0650   -1.5996   15.1296  C     
17   C         9.7614   -1.7562   15.6399  C     
18   O        13.2299   -2.5685   14.6643  O     
19   O        11.4392   -0.3858   14.6274  O     
20   C        12.0166    0.4938   15.6097  C     
21   C         1.8989   -3.3850   19.3614  C     
22   C        -0.3234   -4.4780   19.6899  C     
23   C         0.9735   -4.4603   19.1176  C     
24   C         1.4394   -2.3459   20.2413  C     
25   C         0.1168   -2.3481   20.7439  C     
26   C        -0.7714   -3.3997   20.4580  C     
27   O         1.3419   -5.5731   18.4088  O     
28   C         0.9502   -5.5516   17.0169  C     
29   C        -1.6429   -6.1858   20.6403  C     
30   O        -1.1989   -5.5079   19.4489  O     
31   H         5.0337   -4.6221   16.6161  H     
32   H         7.2001   -4.5887   15.5356  H     
33   H         8.5263   -1.6282   18.2594  H     
34   H         6.5256   -0.8189   19.8886  H     
35   H         3.2025   -4.1411   17.9976  H     
36   H         9.9536   -4.9946   16.5346  H     
37   H        12.1594   -4.7394   15.6074  H     
38   H         9.1377   -0.9520   15.6643  H     
39   H        13.3769   -1.6155   14.4753  H     
40   H        11.2834    0.7508   16.3883  H     
41   H        12.3203    1.4183   15.1093  H     
42   H        12.8974    0.0533   16.0767  H     
43   H         1.9862   -1.5833   20.5312  H     
44   H        -0.2201   -1.5721   21.3348  H     
45   H        -1.7024   -3.3957   20.8569  H     
46   H        -0.1381   -5.5075   16.9109  H     
47   H         1.2930   -6.4937   16.5720  H     
48   H         1.4176   -4.7249   16.4829  H     
49   H        -0.7973   -6.6622   21.1431  H     
50   H        -2.3551   -6.9623   20.3626  H     
51   H        -2.1462   -5.5107   21.3353  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    5    6 2
     8    5    7 1
     9    6    9 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    8   10 2
    14   11   21 1
    15   12   13 2
    16   12   17 1
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   18 1
    21   16   17 2
    22   16   19 1
    23   19   20 1
    24   21   23 2
    25   21   24 1
    26   22   23 1
    27   22   26 2
    28   22   30 1
    29   23   27 1
    30   24   25 2
    31   25   26 1
    32   27   28 1
    33   29   30 1
    34    1   31 1
    35    2   32 1
    36    4   33 1
    37    9   34 1
    38   11   35 1
    39   13   36 1
    40   14   37 1
    41   17   38 1
    42   18   39 1
    43   20   40 1
    44   20   41 1
    45   20   42 1
    46   24   43 1
    47   25   44 1
    48   26   45 1
    49   28   46 1
    50   28   47 1
    51   28   48 1
    52   29   49 1
    53   29   50 1
    54   29   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6151
  Crash		| -1.5568
  Polar		| 3.5107
  FragIndex	| 1
  FragRMSD	| 0.487