@<TRIPOS>MOLECULE
BindingDB_15260
 61 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.4324   10.9499  -19.6611  C     
2    O        -3.9364   11.7470  -20.4403  O     
3    N        -3.7355    9.9322  -19.1461  N     
4    N        -5.6914   11.2737  -19.4128  N     
5    C        -2.3997    9.5928  -19.3363  C     
6    C        -1.5817   10.1230  -20.3727  C     
7    C        -1.7920    8.6904  -18.4197  C     
8    C        -0.1950    9.8961  -20.4267  C     
9    C        -0.3836    8.5138  -18.4526  C     
10   C         0.4177    9.0963  -19.4492  C     
11   Cl        0.7182   10.6554  -21.6347  Cl    
12   N        -6.3833   10.1037  -17.3983  N     
13   N        -8.9014   11.0021  -17.8377  N     
14   C        -6.6205   10.8372  -18.5236  C     
15   C        -8.6633   10.2658  -16.7277  C     
16   C        -7.9339   11.3060  -18.7305  C     
17   C        -7.3537    9.7949  -16.4816  C     
18   O        -7.1497    9.0905  -15.3169  O     
19   O        -2.5898    8.0543  -17.4844  O     
20   C        -2.2030    6.7362  -17.0254  C     
21   C        -5.2964    7.5365  -15.7555  C     
22   C        -5.8376    8.6965  -14.8960  C     
23   C        -3.2968    5.9984  -16.2150  C     
24   C        -4.0187    6.8865  -15.1669  C     
25   C        -9.6632   10.0453  -15.9298  C     
26   N       -10.5517    9.8544  -15.2290  N     
27   O         1.7836    9.0045  -19.3691  O     
28   C         2.4034    7.7719  -19.7873  C     
29   C         2.7153    7.7263  -21.3095  C     
30   C         1.6139    7.0526  -22.1893  C     
31   C         1.9782    5.6821  -22.8505  C     
32   C         3.3010    5.7395  -23.6652  C     
33   C         1.9904    4.4901  -21.8525  C     
34   H        -4.2152    9.3902  -18.5006  H     
35   H        -6.0169   12.0076  -19.9633  H     
36   H        -1.9766   10.6976  -21.1121  H     
37   H         0.0853    7.9695  -17.7301  H     
38   H        -8.1761   11.8820  -19.5393  H     
39   H        -1.9276    6.1023  -17.8749  H     
40   H        -1.3344    6.8350  -16.3715  H     
41   H        -6.0712    6.7695  -15.8451  H     
42   H        -5.0892    7.9139  -16.7571  H     
43   H        -5.1473    9.5426  -14.9108  H     
44   H        -5.9293    8.3594  -13.8611  H     
45   H        -4.0273    5.5682  -16.9058  H     
46   H        -2.8207    5.1606  -15.6971  H     
47   H        -3.3326    7.6537  -14.7960  H     
48   H        -4.3114    6.2693  -14.3118  H     
49   H         3.3523    7.7285  -19.2480  H     
50   H         1.8260    6.8909  -19.4886  H     
51   H         2.8784    8.7521  -21.6528  H     
52   H         3.6649    7.2063  -21.4512  H     
53   H         0.7046    6.9127  -21.5982  H     
54   H         1.3424    7.7470  -22.9908  H     
55   H         1.1852    5.4739  -23.5766  H     
56   H         3.2901    6.5926  -24.3453  H     
57   H         3.4169    4.8318  -24.2610  H     
58   H         4.1677    5.8325  -23.0105  H     
59   H         2.8679    4.5358  -21.2045  H     
60   H         2.0115    3.5425  -22.3956  H     
61   H         1.0982    4.5060  -21.2221  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   30   31 1
    34   31   32 1
    35   31   33 1
    36    3   34 1
    37    4   35 1
    38    6   36 1
    39    9   37 1
    40   16   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   24   47 1
    50   24   48 1
    51   28   49 1
    52   28   50 1
    53   29   51 1
    54   29   52 1
    55   30   53 1
    56   30   54 1
    57   31   55 1
    58   32   56 1
    59   32   57 1
    60   32   58 1
    61   33   59 1
    62   33   60 1
    63   33   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6198
  Crash		| -1.9935
  Polar		| 2.1265
  FragIndex	| 1
  FragRMSD	| 0.787