@<TRIPOS>MOLECULE
BindingDB_50012524
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.8977    8.3935   17.5035  C     
2    C         0.4225    8.8640   17.6113  C     
3    N        -1.3257    7.3871   18.3099  N     
4    N         0.7661    7.2408   19.3487  N     
5    C        -0.2796   14.8934   16.8067  C     
6    C         1.2579    8.2449   18.5783  C     
7    S         1.0922   13.9042   17.1562  S     
8    C        -0.8580   15.7918   17.6689  C     
9    C        -0.5123    6.8077   19.2280  C     
10   C         1.1518   13.0671   15.6535  C     
11   N        -1.9724   16.4393   17.3444  N     
12   C        -0.6901   14.5394   15.5117  C     
13   C        -4.1708   17.0919   17.8782  C     
14   C         0.0816   13.5434   14.8969  C     
15   C        -2.7439   17.2964   18.1998  C     
16   C         0.9524    9.8997   16.8041  C     
17   C        -3.4454   19.7213   16.1244  C     
18   O        -1.7836    8.9197   16.6216  O     
19   N         1.9941   12.0901   15.2378  N     
20   O        -0.3233   15.9869   18.7599  O     
21   O        -4.6324   17.0949   16.6059  O     
22   C         2.5835    8.6702   18.7331  C     
23   O        -2.4282   19.7484   15.2306  O     
24   C        -2.2289   18.7761   18.1412  C     
25   C         2.2903   10.3310   16.9464  C     
26   C        -3.1774   19.8707   17.5729  C     
27   O        -5.0359   16.6938   18.8570  O     
28   C         2.9017   11.3844   16.0833  C     
29   O        -4.7160   19.8149   15.6659  O     
30   C         3.1004    9.6984   17.9177  C     
31   C        -1.0408    5.7448   20.0966  C     
32   H        -2.3355   16.2810   16.4540  H     
33   H        -1.4961   14.9614   15.0441  H     
34   H        -0.1268   13.1912   13.9578  H     
35   H        -2.6183   16.9623   19.2398  H     
36   H         0.3472   10.3266   16.0973  H     
37   H        -2.6708    8.6572   16.9538  H     
38   H         1.9506   11.8283   14.3037  H     
39   H         3.1941    8.2321   19.4365  H     
40   H        -1.9864   19.0964   19.1676  H     
41   H        -1.2736   18.8277   17.5960  H     
42   H        -2.7151   20.8623   17.7331  H     
43   H        -4.1191   19.8660   18.1326  H     
44   H         3.6345   10.8944   15.4358  H     
45   H         3.4448   12.1101   16.6976  H     
46   H         4.0828    9.9767   18.0377  H     
47   H        -1.8771    6.1320   20.6861  H     
48   H        -0.2750    5.3764   20.7849  H     
49   H        -1.3950    4.9065   19.4902  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1   18 1
     4    2    6 2
     5    2   16 1
     6    3    9 1
     7    4    6 1
     8    4    9 2
     9    5    7 1
    10    5    8 1
    11    5   12 2
    12    6   22 1
    13    7   10 1
    14    8   11 am
    15    8   20 2
    16    9   31 1
    17   10   14 2
    18   10   19 1
    19   11   15 1
    20   12   14 1
    21   13   15 1
    22   13   21 2
    23   13   27 1
    24   15   24 1
    25   16   25 2
    26   17   23 2
    27   17   26 1
    28   17   29 1
    29   19   28 1
    30   22   30 2
    31   24   26 1
    32   25   28 1
    33   25   30 1
    34   11   32 1
    35   12   33 1
    36   14   34 1
    37   15   35 1
    38   16   36 1
    39   18   37 1
    40   19   38 1
    41   22   39 1
    42   24   40 1
    43   24   41 1
    44   26   42 1
    45   26   43 1
    46   28   44 1
    47   28   45 1
    48   30   46 1
    49   31   47 1
    50   31   48 1
    51   31   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9401
  Crash		| -0.9538
  Polar		| 5.7664
  FragIndex	| 1
  FragRMSD	| 0.977