@<TRIPOS>MOLECULE
BindingDB_15250
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.6028   10.7319  -20.0751  C     
2    O        -3.1348   11.3964  -20.9970  O     
3    N        -2.8730    9.8337  -19.4138  N     
4    N        -4.8870   10.9563  -19.8731  N     
5    C        -1.5221    9.5606  -19.4813  C     
6    C        -0.5626   10.4472  -20.0375  C     
7    C        -1.0560    8.3460  -18.9045  C     
8    C         0.8012   10.1189  -20.0876  C     
9    C         0.3329    8.0633  -18.8891  C     
10   C         1.2515    8.9170  -19.5179  C     
11   Cl        1.9079   11.1802  -20.8066  Cl    
12   N        -5.3180    9.8335  -17.7856  N     
13   N        -7.9619   10.3412  -18.0793  N     
14   C        -5.7324   10.4563  -18.9245  C     
15   C        -7.5490    9.6991  -16.9579  C     
16   C        -7.1057   10.7275  -19.0571  C     
17   C        -6.1680    9.4418  -16.7938  C     
18   O        -5.7391    8.9582  -15.5838  O     
19   O        -1.9608    7.4606  -18.3548  O     
20   C        -1.8838    6.1129  -18.8810  C     
21   C        -4.5429    8.1773  -15.4794  C     
22   C        -8.4247    9.4261  -16.0319  C     
23   N        -9.1810    9.1990  -15.1987  N     
24   C        -4.6475    6.8298  -16.2205  C     
25   C        -3.1068    5.2444  -18.5197  C     
26   C        -3.2504    4.7886  -17.0409  C     
27   C        -3.4041    5.9230  -15.9966  C     
28   H        -3.3781    9.2557  -18.8216  H     
29   H        -5.3028   11.5930  -20.4876  H     
30   H        -0.8417   11.3648  -20.3917  H     
31   H         0.6887    7.2181  -18.4332  H     
32   H         2.2422    8.6700  -19.5357  H     
33   H        -7.4692   11.2455  -19.8567  H     
34   H        -1.8436    6.1492  -19.9705  H     
35   H        -0.9821    5.6155  -18.5181  H     
36   H        -3.6872    8.7509  -15.8400  H     
37   H        -4.3931    7.9873  -14.4167  H     
38   H        -5.5406    6.2891  -15.8934  H     
39   H        -4.7739    7.0625  -17.2727  H     
40   H        -4.0033    5.7746  -18.8405  H     
41   H        -3.0536    4.3329  -19.1239  H     
42   H        -4.1342    4.1383  -16.9792  H     
43   H        -2.3796    4.1790  -16.7705  H     
44   H        -2.4891    6.5194  -15.9986  H     
45   H        -3.4853    5.4575  -15.0090  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   12   14 1
    15   12   17 2
    16   13   15 2
    17   13   16 1
    18   14   16 2
    19   15   17 1
    20   15   22 1
    21   17   18 1
    22   18   21 1
    23   19   20 1
    24   20   25 1
    25   21   24 1
    26   22   23 3
    27   24   27 1
    28   25   26 1
    29   26   27 1
    30    3   28 1
    31    4   29 1
    32    6   30 1
    33    9   31 1
    34   10   32 1
    35   16   33 1
    36   20   34 1
    37   20   35 1
    38   21   36 1
    39   21   37 1
    40   24   38 1
    41   24   39 1
    42   25   40 1
    43   25   41 1
    44   26   42 1
    45   26   43 1
    46   27   44 1
    47   27   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6889
  Crash		| -4.5312
  Polar		| 2.3514
  FragIndex	| 1
  FragRMSD	| 0.930