@<TRIPOS>MOLECULE
BindingDB_15271
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.7364   13.8023    0.5979  C     
2    O         1.4914   14.5247    1.2278  O     
3    N         0.9900   13.4615   -0.6665  N     
4    N        -0.3694   13.4440    1.2476  N     
5    C         1.9736   13.8258   -1.5564  C     
6    C         3.0968   14.6472   -1.2710  C     
7    C         1.8229   13.3510   -2.8773  C     
8    C         3.9893   15.0795   -2.2733  C     
9    C         2.6659   13.8390   -3.8954  C     
10   C         3.7292   14.7300   -3.6311  C     
11   Cl        5.3547   15.9332   -1.7339  Cl    
12   N        -1.4753   11.9850   -0.3200  N     
13   N        -3.7250   12.0327    1.1608  N     
14   C        -1.4599   12.7226    0.8258  C     
15   C        -3.7379   11.3263   -0.0013  C     
16   C        -2.6342   12.7198    1.6039  C     
17   C        -2.5591   11.2966   -0.7698  C     
18   O        -2.4581   10.5893   -1.9349  O     
19   O         0.7967   12.4704   -3.1757  O     
20   C         1.1301   11.2956   -3.9568  C     
21   C        -2.0558   10.6807   -4.3787  C     
22   C        -2.4695   11.4424   -3.0973  C     
23   C         0.3532   10.0579   -3.4437  C     
24   C        -0.9132    9.6407   -4.2318  C     
25   C        -4.8333   10.7570   -0.4027  C     
26   N        -5.8057   10.2778   -0.8031  N     
27   N         4.3659   15.1609   -4.7547  N     
28   C         5.4590   16.0560   -4.9045  C     
29   C         6.3508   15.6430   -6.0994  C     
30   O         5.7269   15.9621   -7.3472  O     
31   H         0.3141   12.8971   -1.0553  H     
32   H        -0.4471   13.8030    2.1460  H     
33   H         3.2887   14.9342   -0.3155  H     
34   H         2.4742   13.5430   -4.8586  H     
35   H        -2.6923   13.2410    2.4813  H     
36   H         0.8911   11.4814   -5.0110  H     
37   H         2.1967   11.0642   -3.8958  H     
38   H        -2.9293   10.1558   -4.7670  H     
39   H        -1.7641   11.4172   -5.1339  H     
40   H        -3.4844   11.8364   -3.2386  H     
41   H        -1.7895   12.2950   -2.9740  H     
42   H         1.0293    9.2005   -3.4756  H     
43   H         0.0959   10.2052   -2.3908  H     
44   H        -1.3263    8.7530   -3.7414  H     
45   H        -0.6073    9.3343   -5.2344  H     
46   H         3.9144   14.9507   -5.5919  H     
47   H         5.0598   17.0582   -5.0809  H     
48   H         6.0522   16.1254   -3.9920  H     
49   H         7.2891   16.2000   -6.0409  H     
50   H         6.5815   14.5655   -6.0616  H     
51   H         4.9012   15.4173   -7.3661  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   27   28 1
    31   28   29 1
    32   29   30 1
    33    3   31 1
    34    4   32 1
    35    6   33 1
    36    9   34 1
    37   16   35 1
    38   20   36 1
    39   20   37 1
    40   21   38 1
    41   21   39 1
    42   22   40 1
    43   22   41 1
    44   23   42 1
    45   23   43 1
    46   24   44 1
    47   24   45 1
    48   27   46 1
    49   28   47 1
    50   28   48 1
    51   29   49 1
    52   29   50 1
    53   30   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7836
  Crash		| -2.8828
  Polar		| 4.5566
  FragIndex	| 1
  FragRMSD	| 0.721