@<TRIPOS>MOLECULE
BindingDB_15247
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3560   11.1101  -19.4511  C     
2    O        -3.7400   11.9230  -20.1283  O     
3    N        -3.7525   10.0381  -18.9349  N     
4    N        -5.6141   11.4559  -19.2625  N     
5    C        -2.4465    9.6246  -19.0768  C     
6    C        -1.6414    9.9609  -20.2001  C     
7    C        -1.8836    8.8144  -18.0501  C     
8    C        -0.2950    9.5737  -20.2842  C     
9    C        -0.5295    8.3985  -18.1742  C     
10   C         0.2614    8.7814  -19.2701  C     
11   Cl        0.6621   10.0651  -21.5949  Cl    
12   N        -6.5560    9.6131  -18.0241  N     
13   N        -8.7771   11.0990  -17.5519  N     
14   C        -6.6011   10.8774  -18.5221  C     
15   C        -8.7151    9.8442  -17.0492  C     
16   C        -7.7667   11.6379  -18.2809  C     
17   C        -7.5687    9.0602  -17.2905  C     
18   O        -7.5799    7.7788  -16.8097  O     
19   O        -2.6850    8.4913  -16.9548  O     
20   C        -2.0926    7.8932  -15.7708  C     
21   C        -5.5025    7.7876  -15.4371  C     
22   C        -6.3341    7.1108  -16.5562  C     
23   C        -3.0625    7.6596  -14.5782  C     
24   C        -4.3496    6.8666  -14.9436  C     
25   H        -4.2868    9.5170  -18.3212  H     
26   H        -5.8634   12.2922  -19.6892  H     
27   H        -2.0272   10.4964  -20.9751  H     
28   H        -0.0800    7.8284  -17.4544  H     
29   H         1.2377    8.4826  -19.3215  H     
30   H        -9.5029    9.4754  -16.5111  H     
31   H        -7.8585   12.5879  -18.6386  H     
32   H        -1.6796    6.9118  -16.0400  H     
33   H        -1.2809    8.5402  -15.4167  H     
34   H        -5.1006    8.7274  -15.8221  H     
35   H        -6.1489    8.0384  -14.5935  H     
36   H        -6.5876    6.0975  -16.2367  H     
37   H        -5.7386    7.0433  -17.4749  H     
38   H        -2.5159    7.0767  -13.8270  H     
39   H        -3.3269    8.6150  -14.1182  H     
40   H        -4.6986    6.3248  -14.0552  H     
41   H        -4.0991    6.1095  -15.6925  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   17   18 1
    21   18   22 1
    22   19   20 1
    23   20   23 1
    24   21   22 1
    25   21   24 1
    26   23   24 1
    27    3   25 1
    28    4   26 1
    29    6   27 1
    30    9   28 1
    31   10   29 1
    32   15   30 1
    33   16   31 1
    34   20   32 1
    35   20   33 1
    36   21   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4936
  Crash		| -2.9152
  Polar		| 2.0561
  FragIndex	| 1
  FragRMSD	| 0.881