@<TRIPOS>MOLECULE
BindingDB_13056
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.5364    3.8663   13.6546  C     
2    C        -3.9569    5.0800   12.7542  C     
3    S        -5.1833    6.3027   14.7838  S     
4    O        -4.7074    7.0565   16.0935  O     
5    O        -6.6463    6.7644   14.3314  O     
6    N        -4.0851    6.3226   13.4945  N     
7    C        -3.7473    7.5979   12.9023  C     
8    C        -2.8652    8.5032   13.8073  C     
9    C        -1.5029    7.8661   14.1667  C     
10   O        -0.6232    8.7736   14.8510  O     
11   C        -0.9149    9.0118   16.2382  C     
12   N        -2.1770    4.0016   14.2692  N     
13   C        -1.0184    4.3328   13.3864  C     
14   C        -0.5447    3.1739   12.4818  C     
15   C        -4.5395    3.6237   14.7286  C     
16   C        -5.3218    4.6522   15.2651  C     
17   C        -4.8803    2.3581   15.2618  C     
18   C        -5.9174    2.3807   16.1928  C     
19   S        -6.4596    4.0016   16.3661  S     
20   N        -6.4139    1.1081   18.6997  N     
21   S        -6.6263    1.0497   17.0383  S     
22   O        -8.1911    1.1876   16.8395  O     
23   O        -6.2265   -0.3684   16.4369  O     
24   H        -3.5167    2.9844   13.0097  H     
25   H        -3.2304    5.1813   11.9378  H     
26   H        -4.9291    4.8604   12.2893  H     
27   H        -3.2050    7.4648   11.9581  H     
28   H        -4.6721    8.1339   12.6544  H     
29   H        -2.6869    9.4446   13.2764  H     
30   H        -3.4211    8.7419   14.7164  H     
31   H        -1.6515    6.9482   14.7401  H     
32   H        -0.9963    7.5883   13.2365  H     
33   H        -1.8945    9.4658   16.3685  H     
34   H        -0.1666    9.7002   16.6226  H     
35   H        -0.8603    8.0849   16.8093  H     
36   H        -2.2330    4.7324   14.9835  H     
37   H        -1.9614    3.1173   14.7295  H     
38   H        -1.2437    5.1927   12.7620  H     
39   H        -0.1826    4.6086   14.0426  H     
40   H        -0.1487    2.3428   13.0758  H     
41   H         0.2537    3.5319   11.8246  H     
42   H        -1.3701    2.8124   11.8610  H     
43   H        -4.4183    1.4991   14.9686  H     
44   H        -7.1975    1.1312   19.2795  H     
45   H        -5.5354    1.2774   19.0828  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   16 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 2
    17   15   17 1
    18   16   19 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   20   21 am
    23   21   22 2
    24   21   23 2
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   17   43 1
    45   20   44 1
    46   20   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0650
  Crash		| -2.9866
  Polar		| 2.6494
  FragIndex	| 1
  FragRMSD	| 1.307