@<TRIPOS>MOLECULE
BindingDB_13427
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.0384    5.2672   12.1630  C     
2    C        -1.1380    4.2498   12.2822  C     
3    C        -1.5009    7.2260   12.8307  C     
4    C         0.6750    7.6645   11.9835  C     
5    C         0.4523    8.7181   12.9292  C     
6    C        -0.7597    8.2406   13.7418  C     
7    C        -0.4193    6.7205   11.8081  C     
8    C        -0.9158    6.8036   10.3233  C     
9    C        -2.2424    6.1024   13.6484  C     
10   C        -2.5148    4.8466   12.7569  C     
11   C        -4.2315    5.5241   15.1434  C     
12   C        -3.5548    6.6236   14.2936  C     
13   C        -4.2325    4.1781   14.5243  C     
14   C        -3.4397    3.8411   13.3956  C     
15   C        -3.5999    2.5650   12.8228  C     
16   C        -4.4232    1.5641   13.4062  C     
17   C        -5.0812    1.8649   14.6265  C     
18   C        -5.0258    3.1693   15.1313  C     
19   C        -5.2556    0.3411   11.3550  C     
20   O         1.6963    7.6410   11.3073  O     
21   O        -5.7274    0.8586   15.2762  O     
22   N        -6.0463   -0.7976   17.4581  N     
23   S        -6.3707    0.7301   16.8449  S     
24   O        -5.7812    1.9227   17.9035  O     
25   O        -8.0376    0.9717   16.7693  O     
26   C        -4.5305    0.2433   12.7205  C     
27   H         0.5593    5.2872   13.1241  H     
28   H         0.7560    4.9014   11.4232  H     
29   H        -1.2844    3.7828   11.3030  H     
30   H        -0.8252    3.4622   12.9721  H     
31   H        -2.2621    7.7903   12.2776  H     
32   H         1.3210    8.8611   13.5782  H     
33   H         0.2316    9.6503   12.4018  H     
34   H        -1.4062    9.0779   14.0174  H     
35   H        -0.4007    7.7609   14.6597  H     
36   H        -0.1374    6.4674    9.6336  H     
37   H        -1.1824    7.8298   10.0569  H     
38   H        -1.7932    6.1799   10.1632  H     
39   H        -1.5953    5.7723   14.4707  H     
40   H        -3.0562    5.1890   11.8687  H     
41   H        -3.7237    5.4533   16.1053  H     
42   H        -5.2575    5.8448   15.3430  H     
43   H        -3.3388    7.4847   14.9342  H     
44   H        -4.2459    6.9516   13.5102  H     
45   H        -3.0877    2.3300   11.9683  H     
46   H        -5.5582    3.4157   15.9794  H     
47   H        -6.2131    0.8553   11.4681  H     
48   H        -5.4427   -0.6606   10.9585  H     
49   H        -4.6473    0.8848   10.6341  H     
50   H        -6.2920   -0.9850   18.3753  H     
51   H        -5.3125   -1.3020   17.0708  H     
52   H        -3.5254   -0.1575   12.5571  H     
53   H        -5.0657   -0.4876   13.3328  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2   10 1
     4    3    6 1
     5    3    7 1
     6    3    9 1
     7    4    5 1
     8    4    7 1
     9    4   20 2
    10    5    6 1
    11    7    8 1
    12    9   10 1
    13    9   12 1
    14   10   14 1
    15   11   12 1
    16   11   13 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   26 1
    23   17   18 2
    24   17   21 1
    25   19   26 1
    26   21   23 1
    27   22   23 am
    28   23   24 2
    29   23   25 2
    30    1   27 1
    31    1   28 1
    32    2   29 1
    33    2   30 1
    34    3   31 1
    35    5   32 1
    36    5   33 1
    37    6   34 1
    38    6   35 1
    39    8   36 1
    40    8   37 1
    41    8   38 1
    42    9   39 1
    43   10   40 1
    44   11   41 1
    45   11   42 1
    46   12   43 1
    47   12   44 1
    48   15   45 1
    49   18   46 1
    50   19   47 1
    51   19   48 1
    52   19   49 1
    53   22   50 1
    54   22   51 1
    55   26   52 1
    56   26   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5620
  Crash		| -1.2831
  Polar		| 1.0539
  FragIndex	| 1
  FragRMSD	| 0.694