@<TRIPOS>MOLECULE
BindingDB_11391
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3972    2.3148   12.6363  C     
2    C        -3.0246    3.1640   11.6426  C     
3    N        -3.5091    4.4558   11.5519  N     
4    C        -3.1881    5.3290   10.5446  C     
5    C        -3.7830    5.2035    9.2694  C     
6    C        -3.4039    6.0586    8.2192  C     
7    C        -2.4350    7.0548    8.4362  C     
8    C        -1.8499    7.2113    9.7083  C     
9    C        -2.2567    6.3709   10.7644  C     
10   S        -4.5948    5.1127   12.6780  S     
11   O        -3.9651    6.2757   13.5602  O     
12   O        -5.9902    5.5059   12.0273  O     
13   C        -4.3039    2.5931   13.6449  C     
14   C        -4.9371    3.8284   13.7662  C     
15   C        -4.6667    1.6879   14.6628  C     
16   C        -5.5802    2.1934   15.5923  C     
17   S        -5.9560    3.8106   15.1480  S     
18   N        -7.2999    2.1778   17.9160  N     
19   S        -6.1542    1.3659   16.9965  S     
20   O        -6.6842   -0.0862   16.6361  O     
21   O        -4.9086    1.0921   17.9373  O     
22   C        -2.0134    2.6523   10.6813  C     
23   C         1.4233    4.1996    9.7579  C     
24   C        -0.0944    3.9263    9.6488  C     
25   C        -0.1694    3.7007   12.1250  C     
26   C         1.3374    4.0706   12.1562  C     
27   N        -0.5793    3.1103   10.8093  N     
28   O         1.7233    4.8466   11.0066  O     
29   O        -0.9239    8.2004    9.9041  O     
30   C         0.3647    7.7182   10.3221  C     
31   H        -2.9878    1.4070   12.6738  H     
32   H        -4.4797    4.4748    9.0972  H     
33   H        -3.8285    5.9506    7.2954  H     
34   H        -2.1585    7.6680    7.6661  H     
35   H        -1.8380    6.4960   11.6878  H     
36   H        -4.2788    0.7435   14.7342  H     
37   H        -8.2388    2.1458   17.6582  H     
38   H        -7.0112    2.7405   18.6614  H     
39   H        -1.9628    1.5592   10.7191  H     
40   H        -2.3906    2.8346    9.6772  H     
41   H         1.9858    3.2668    9.6707  H     
42   H         1.7332    4.8598    8.9462  H     
43   H        -0.6198    4.8774    9.6051  H     
44   H        -0.2765    3.4044    8.7070  H     
45   H        -0.3657    2.9842   12.9279  H     
46   H        -0.7417    4.6054   12.3299  H     
47   H         1.5425    4.6752   13.0414  H     
48   H         1.9443    3.1648   12.2203  H     
49   H        -0.0357    2.2485   10.7448  H     
50   H         0.3167    7.3033   11.3347  H     
51   H         1.0541    8.5640   10.3341  H     
52   H         0.7618    6.9624    9.6347  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   13 1
     3    2    3 1
     4    2   22 1
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   29 1
    14   10   11 2
    15   10   12 2
    16   10   14 1
    17   13   14 2
    18   13   15 1
    19   14   17 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   18   19 am
    24   19   20 2
    25   19   21 2
    26   22   27 1
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34    1   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   15   36 1
    40   18   37 1
    41   18   38 1
    42   22   39 1
    43   22   40 1
    44   23   41 1
    45   23   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1034
  Crash		| -1.9274
  Polar		| 4.1163
  FragIndex	| 1
  FragRMSD	| 1.460