@<TRIPOS>MOLECULE
BindingDB_15272
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5743   13.8228    0.5999  C     
2    O         1.3723   14.4414    1.2943  O     
3    N         0.8131   13.5819   -0.6919  N     
4    N        -0.5146   13.4322    1.2469  N     
5    C         1.8388   13.9475   -1.5452  C     
6    C         2.9822   14.7168   -1.1975  C     
7    C         1.7216   13.5171   -2.8914  C     
8    C         3.9900   15.0145   -2.1404  C     
9    C         2.6444   13.9512   -3.8603  C     
10   C         3.8177   14.6480   -3.5118  C     
11   Cl        5.2573   15.9970   -1.5749  Cl    
12   N        -1.5925   12.0063   -0.3728  N     
13   N        -3.8102   11.9267    1.1439  N     
14   C        -1.5787   12.6961    0.8018  C     
15   C        -3.8274   11.2716   -0.0452  C     
16   C        -2.7363   12.6227    1.5990  C     
17   C        -2.6595   11.2969   -0.8339  C     
18   O        -2.5571   10.6360   -2.0327  O     
19   O         0.7536   12.5993   -3.2435  O     
20   C         1.3123   11.2925   -3.5536  C     
21   C        -1.9013   10.8974   -4.4456  C     
22   C        -2.4967   11.5320   -3.1622  C     
23   C         0.3421   10.1317   -3.2309  C     
24   C        -0.8016    9.8233   -4.2348  C     
25   C        -4.9110   10.6867   -0.4423  C     
26   N        -5.8751   10.1818   -0.8196  N     
27   N         4.6346   14.9011   -4.5693  N     
28   C         6.0523   14.6678   -4.6623  C     
29   C         6.3633   13.1473   -4.4915  C     
30   C         6.5671   15.1900   -6.0188  C     
31   H         0.1032   13.0917   -1.1322  H     
32   H        -0.5870   13.7371    2.1691  H     
33   H         3.0991   15.0495   -0.2391  H     
34   H         2.5118   13.6508   -4.8300  H     
35   H        -2.7894   13.0952    2.5009  H     
36   H         1.6077   11.2375   -4.6070  H     
37   H         2.2118   11.1087   -2.9461  H     
38   H        -2.7103   10.4327   -5.0222  H     
39   H        -1.4905   11.6990   -5.0703  H     
40   H        -3.5210   11.8401   -3.3788  H     
41   H        -1.9038   12.4284   -2.9488  H     
42   H         0.9404    9.2155   -3.1866  H     
43   H        -0.0613   10.2975   -2.2303  H     
44   H        -1.2942    8.9116   -3.8805  H     
45   H        -0.3541    9.5918   -5.2043  H     
46   H         4.1630   15.0471   -5.4330  H     
47   H         6.5853   15.2120   -3.8899  H     
48   H         6.0153   12.7859   -3.5221  H     
49   H         7.4390   12.9507   -4.5505  H     
50   H         5.8532   12.5692   -5.2716  H     
51   H         6.1236   14.6228   -6.8409  H     
52   H         7.6530   15.1113   -6.0847  H     
53   H         6.2911   16.2388   -6.1376  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   28   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   29   48 1
    51   29   49 1
    52   29   50 1
    53   30   51 1
    54   30   52 1
    55   30   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9158
  Crash		| -2.9557
  Polar		| 4.2470
  FragIndex	| 1
  FragRMSD	| 0.697