@<TRIPOS>MOLECULE
BindingDB_50100898
 37 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.4756   27.2388   11.5581  C     
2    N        -0.1621   20.2377    1.8804  N     
3    C        -0.4204   20.5699    2.9475  C     
4    C        -1.4225   21.6964    6.8117  C     
5    C        -1.7980   22.0474    8.1370  C     
6    O        -1.7554   28.1173   12.3590  O     
7    N        -0.5522   27.5373   10.6604  N     
8    N        -2.0539   26.0460   11.5873  N     
9    C        -2.0961   22.2483    5.6941  C     
10   C        -0.3805   20.7652    6.5734  C     
11   C        -0.8249   22.2563    9.1482  C     
12   C        -3.1648   22.1824    8.4865  C     
13   C        -0.7197   20.9401    4.1585  C     
14   C        -2.5619   22.7985   10.7771  C     
15   C        -0.0358   20.3849    5.2651  C     
16   C        -1.7484   21.8805    4.3820  C     
17   C        -3.5431   22.5361    9.7920  C     
18   C        -1.2038   22.6224   10.4537  C     
19   O        -0.1217   26.6825    9.7745  O     
20   O        -2.9175   23.1367   12.0556  O     
21   C        -2.9828   25.6093   12.5809  C     
22   C        -3.7444   24.3251   12.1679  C     
23   H        -0.1578   28.4225   10.6752  H     
24   H        -1.8131   25.4193   10.8904  H     
25   H        -2.8467   22.9308    5.8282  H     
26   H         0.1064   20.3268    7.3576  H     
27   H         0.1706   22.1567    8.9313  H     
28   H        -3.8991   22.0084    7.7962  H     
29   H         0.7119   19.6981    5.1288  H     
30   H        -2.2585   22.2950    3.5957  H     
31   H        -4.5337   22.6140   10.0344  H     
32   H        -0.4895   22.7686   11.1685  H     
33   H         0.5324   26.1304   10.2598  H     
34   H        -2.4457   25.4264   13.5213  H     
35   H        -3.7251   26.4024   12.7482  H     
36   H        -4.3334   24.5287   11.2654  H     
37   H        -4.4586   24.1087   12.9578  H     
@<TRIPOS>BOND
     1    1    6 2
     2    1    7 am
     3    1    8 am
     4    2    3 3
     5    3   13 1
     6    4    5 1
     7    4    9 2
     8    4   10 1
     9    5   11 1
    10    5   12 2
    11    7   19 1
    12    8   21 1
    13    9   16 1
    14   10   15 2
    15   11   18 2
    16   12   17 1
    17   13   15 1
    18   13   16 2
    19   14   17 2
    20   14   18 1
    21   14   20 1
    22   20   22 1
    23   21   22 1
    24    7   23 1
    25    8   24 1
    26    9   25 1
    27   10   26 1
    28   11   27 1
    29   12   28 1
    30   15   29 1
    31   16   30 1
    32   17   31 1
    33   18   32 1
    34   19   33 1
    35   21   34 1
    36   21   35 1
    37   22   36 1
    38   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6407
  Crash		| -1.0373
  Polar		| 5.4500
  FragIndex	| 1
  FragRMSD	| 0.730

@<TRIPOS>MOLECULE
BindingDB_50175780
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.2366   22.6927   10.5853  C     
2    C        -0.8725   22.4098    9.2658  C     
3    C        -1.8551   22.1178    8.2812  C     
4    C        -3.2139   22.1089    8.6759  C     
5    C        -3.5831   22.3826    9.9994  C     
6    C        -2.5976   22.7157   10.9630  C     
7    C        -1.4838   21.8337    6.9434  C     
8    C        -2.2539   22.2791    5.8375  C     
9    C        -1.9078   21.9277    4.5186  C     
10   C        -0.7821   21.1055    4.2646  C     
11   C         0.0032   20.6761    5.3624  C     
12   C        -0.3436   21.0381    6.6727  C     
13   O        -2.9522   23.2224   12.1737  O     
14   C        -3.6681   24.4905   12.0589  C     
15   C        -2.9523   25.6205   12.8459  C     
16   N        -2.9790   26.8702   12.1052  N     
17   C        -2.0616   27.1693   11.1513  C     
18   N        -1.0453   26.3566   10.8739  N     
19   O        -2.1636   28.1869   10.4578  O     
20   O        -0.2348   26.5550    9.8734  O     
21   C        -0.5152   20.7126    3.0735  C     
22   N        -0.2850   20.3463    2.0131  N     
23   C        -4.1263   27.7234   12.3420  C     
24   H        -0.5181   22.9267   11.2780  H     
25   H         0.1143   22.4113    9.0167  H     
26   H        -3.9510   21.8927    8.0028  H     
27   H        -4.5731   22.4049   10.2681  H     
28   H        -3.0816   22.8732    5.9878  H     
29   H        -2.5019   22.2568    3.7519  H     
30   H         0.8295   20.0767    5.2153  H     
31   H         0.2406   20.6835    7.4483  H     
32   H        -3.8277   24.8080   11.0190  H     
33   H        -4.6604   24.3437   12.4914  H     
34   H        -3.4242   25.7437   13.8245  H     
35   H        -1.9187   25.3306   13.0675  H     
36   H        -0.8952   25.5831   11.4368  H     
37   H         0.5580   25.9922   10.1027  H     
38   H        -5.0305   27.1901   12.0558  H     
39   H        -4.1278   28.6749   11.7903  H     
40   H        -4.2084   27.9789   13.4060  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   13 1
     9    7    8 2
    10    7   12 1
    11    8    9 1
    12    9   10 2
    13   10   11 1
    14   10   21 1
    15   11   12 2
    16   13   14 1
    17   14   15 1
    18   15   16 1
    19   16   17 am
    20   16   23 1
    21   17   18 am
    22   17   19 2
    23   18   20 1
    24   21   22 3
    25    1   24 1
    26    2   25 1
    27    4   26 1
    28    5   27 1
    29    8   28 1
    30    9   29 1
    31   11   30 1
    32   12   31 1
    33   14   32 1
    34   14   33 1
    35   15   34 1
    36   15   35 1
    37   18   36 1
    38   20   37 1
    39   23   38 1
    40   23   39 1
    41   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2502
  Crash		| -1.9125
  Polar		| 6.0215
  FragIndex	| 1
  FragRMSD	| 0.669