@<TRIPOS>MOLECULE
BindingDB_15287
 56 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.6353   13.9589    0.5897  C     
2    O         1.3695   14.4848    1.4088  O     
3    N         0.9828   13.8049   -0.6913  N     
4    N        -0.5240   13.6007    1.1238  N     
5    C         2.1384   14.1536   -1.3788  C     
6    C         3.2616   14.8038   -0.8206  C     
7    C         2.1876   13.9064   -2.7670  C     
8    C         4.3968   15.1746   -1.5817  C     
9    C         3.3393   14.2456   -3.5127  C     
10   C         4.5279   14.8289   -2.9710  C     
11   Cl        5.4425   16.1616   -0.6729  Cl    
12   N        -1.4744   12.0845   -0.4730  N     
13   N        -3.8528   12.2326    0.7942  N     
14   C        -1.5723   12.9138    0.5980  C     
15   C        -3.7531   11.4217   -0.2892  C     
16   C        -2.8121   12.9661    1.2643  C     
17   C        -2.5095   11.3405   -0.9510  C     
18   O        -2.2662   10.4721   -1.9781  O     
19   O         1.0396   13.5516   -3.4351  O     
20   C         1.0034   12.3151   -4.1734  C     
21   C        -1.4972   10.2061   -4.2763  C     
22   C        -2.3114   11.0708   -3.2837  C     
23   C         0.8011   11.0864   -3.2522  C     
24   C        -0.0194    9.9171   -3.8680  C     
25   C        -4.8032   10.7610   -0.6747  C     
26   N        -5.7377   10.1917   -1.0237  N     
27   N         5.6586   15.0263   -3.7879  N     
28   C         6.8473   15.7871   -3.3936  C     
29   C         5.7871   14.4261   -5.1239  C     
30   C         7.8616   14.9534   -2.5777  C     
31   C         5.6050   15.4739   -6.2430  C     
32   H         0.3023   13.3879   -1.2401  H     
33   H        -0.6436   13.8634    2.0542  H     
34   H         3.2455   15.0630    0.1635  H     
35   H         3.2523   14.0837   -4.5099  H     
36   H        -2.9388   13.5451    2.0943  H     
37   H         0.1584   12.4133   -4.8567  H     
38   H         1.8927   12.1700   -4.7942  H     
39   H        -2.0069    9.2452   -4.3900  H     
40   H        -1.5133   10.6923   -5.2557  H     
41   H        -3.3519   11.1237   -3.6156  H     
42   H        -1.9015   12.0856   -3.2949  H     
43   H         1.7878   10.7168   -2.9691  H     
44   H         0.3173   11.3996   -2.3295  H     
45   H        -0.0317    9.1038   -3.1354  H     
46   H         0.5134    9.5425   -4.7468  H     
47   H         7.4071   16.1683   -4.2514  H     
48   H         6.5838   16.6995   -2.8737  H     
49   H         6.7651   13.9668   -5.2971  H     
50   H         5.1033   13.5876   -5.2602  H     
51   H         7.4055   14.5291   -1.6863  H     
52   H         8.6983   15.5854   -2.2702  H     
53   H         8.2482   14.1396   -3.1966  H     
54   H         4.6233   15.9307   -6.1844  H     
55   H         5.7071   15.0018   -7.2194  H     
56   H         6.3619   16.2578   -6.1511  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   27   29 1
    32   28   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   28   47 1
    50   28   48 1
    51   29   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	| 6.6148
  Crash		| -1.6093
  Polar		| 3.2012
  FragIndex	| 1
  FragRMSD	| 0.657