@<TRIPOS>MOLECULE
BindingDB_15251
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.4947   11.0702  -19.5518  C     
2    O        -3.9585   11.9135  -20.2557  O     
3    N        -3.8158   10.0373  -19.0491  N     
4    N        -5.7533   11.3678  -19.2791  N     
5    C        -2.4924    9.6788  -19.2232  C     
6    C        -1.6999   10.1217  -20.3175  C     
7    C        -1.8939    8.8119  -18.2629  C     
8    C        -0.3431    9.7727  -20.4466  C     
9    C        -0.5420    8.4070  -18.4509  C     
10   C         0.2331    8.8990  -19.5105  C     
11   Cl        0.5674   10.4130  -21.7277  Cl    
12   N        -6.5645    9.4398  -18.0889  N     
13   N        -8.7402   10.8601  -17.3215  N     
14   C        -6.6615   10.7369  -18.4928  C     
15   C        -8.6272    9.5739  -16.9047  C     
16   C        -7.8050   11.4620  -18.0997  C     
17   C        -7.4986    8.8222  -17.3079  C     
18   O        -7.4176    7.5020  -16.9415  O     
19   O        -2.6556    8.4214  -17.1672  O     
20   C        -1.9880    7.9460  -15.9722  C     
21   C        -5.3655    7.6594  -15.5165  C     
22   C        -6.1311    6.9365  -16.6492  C     
23   C        -2.8929    7.7258  -14.7295  C     
24   C        -4.1420    6.8482  -14.9988  C     
25   C        -9.5779    9.0667  -16.1781  C     
26   N       -10.4205    8.5928  -15.5509  N     
27   O         1.5303    8.5245  -19.6158  O     
28   H        -4.3094    9.4853  -18.4248  H     
29   H        -6.0712   12.1934  -19.6762  H     
30   H        -2.1036   10.6986  -21.0536  H     
31   H        -0.0854    7.7692  -17.7978  H     
32   H        -7.9396   12.4327  -18.3886  H     
33   H        -1.5097    6.9884  -16.1929  H     
34   H        -1.2189    8.6681  -15.6845  H     
35   H        -5.0482    8.6349  -15.8930  H     
36   H        -6.0511    7.8430  -14.6831  H     
37   H        -6.3181    5.9039  -16.3441  H     
38   H        -5.5209    6.9087  -17.5553  H     
39   H        -2.2833    7.2313  -13.9671  H     
40   H        -3.1984    8.6873  -14.3081  H     
41   H        -4.4327    6.3537  -14.0645  H     
42   H        -3.8701    6.0523  -15.7019  H     
43   H         2.0059    9.0992  -18.9731  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   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30    3   28 1
    31    4   29 1
    32    6   30 1
    33    9   31 1
    34   16   32 1
    35   20   33 1
    36   20   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   23   39 1
    42   23   40 1
    43   24   41 1
    44   24   42 1
    45   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8870
  Crash		| -2.9382
  Polar		| 2.3377
  FragIndex	| 1
  FragRMSD	| 0.882