@<TRIPOS>MOLECULE
BindingDB_15273
 56 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5341   13.8083    0.5806  C     
2    O         1.3497   14.4090    1.2716  O     
3    N         0.7603   13.5813   -0.7168  N     
4    N        -0.5470   13.4137    1.2358  N     
5    C         1.7725   13.9427   -1.5757  C     
6    C         2.8642   14.7881   -1.2375  C     
7    C         1.7099   13.4342   -2.9007  C     
8    C         3.8636   15.1287   -2.1828  C     
9    C         2.6483   13.8583   -3.8620  C     
10   C         3.7211   14.7330   -3.5473  C     
11   Cl        5.3150   15.7193   -1.5336  Cl    
12   N        -1.6014   11.9806   -0.3630  N     
13   N        -3.8252   11.8559    1.1401  N     
14   C        -1.6090   12.6675    0.8051  C     
15   C        -3.8159   11.1921   -0.0446  C     
16   C        -2.7691   12.5767    1.5941  C     
17   C        -2.6466   11.2436   -0.8336  C     
18   O        -2.5264   10.5965   -2.0373  O     
19   O         0.7360   12.4951   -3.2333  O     
20   C         1.2490   11.2456   -3.7550  C     
21   C        -2.0119   10.8359   -4.4783  C     
22   C        -2.4815   11.5029   -3.1610  C     
23   C         0.3265   10.0439   -3.4495  C     
24   C        -0.8973    9.7614   -4.3633  C     
25   C        -4.8875   10.5721   -0.4475  C     
26   N        -5.8331   10.0461   -0.8223  N     
27   N         4.4899   15.1230   -4.6142  N     
28   C         5.7219   15.8537   -4.7112  C     
29   C         7.0749   15.0625   -4.7832  C     
30   C         6.8902   13.5094   -4.7634  C     
31   C         7.9433   15.5064   -6.0061  C     
32   H         0.0601   13.0700   -1.1559  H     
33   H        -0.6146   13.7405    2.1436  H     
34   H         3.0027   15.1355   -0.2907  H     
35   H         2.5323   13.5176   -4.8234  H     
36   H        -2.8352   13.0521    2.4997  H     
37   H         1.3970   11.3290   -4.8311  H     
38   H         2.2229   11.0199   -3.3078  H     
39   H        -2.8784   10.3659   -4.9528  H     
40   H        -1.6673   11.6191   -5.1574  H     
41   H        -3.4868   11.9074   -3.3133  H     
42   H        -1.8083   12.3430   -2.9660  H     
43   H         0.9492    9.1463   -3.5038  H     
44   H        -0.0026   10.1218   -2.4144  H     
45   H        -1.3670    8.8430   -3.9971  H     
46   H        -0.5375    9.5390   -5.3700  H     
47   H         4.0105   15.0789   -5.4725  H     
48   H         5.6144   16.4437   -5.6119  H     
49   H         5.7783   16.5857   -3.9113  H     
50   H         7.6889   15.3327   -3.9146  H     
51   H         6.3211   13.2155   -3.8671  H     
52   H         7.8799   13.0321   -4.7129  H     
53   H         6.3543   13.1656   -5.6548  H     
54   H         7.4761   15.2088   -6.9462  H     
55   H         8.9384   15.0516   -5.9327  H     
56   H         8.0581   16.5981   -5.9964  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   29   31 1
    34    3   32 1
    35    4   33 1
    36    6   34 1
    37    9   35 1
    38   16   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   27   47 1
    50   28   48 1
    51   28   49 1
    52   29   50 1
    53   30   51 1
    54   30   52 1
    55   30   53 1
    56   31   54 1
    57   31   55 1
    58   31   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1409
  Crash		| -2.9376
  Polar		| 4.3924
  FragIndex	| 1
  FragRMSD	| 0.745