@<TRIPOS>MOLECULE
BindingDB_15277
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5574   13.7426    0.5851  C     
2    O         1.2894   14.4583    1.2562  O     
3    N         0.8306   13.4328   -0.6866  N     
4    N        -0.5205   13.3614    1.2481  N     
5    C         1.8311   13.8548   -1.5233  C     
6    C         2.9852   14.5702   -1.1216  C     
7    C         1.7050   13.5372   -2.9010  C     
8    C         3.9330   15.0466   -2.0506  C     
9    C         2.6113   14.0880   -3.8286  C     
10   C         3.7201   14.8695   -3.4472  C     
11   Cl        5.3095   15.7649   -1.3828  Cl    
12   N        -1.5863   11.9272   -0.3395  N     
13   N        -3.7852   11.7737    1.2042  N     
14   C        -1.5728   12.6033    0.8357  C     
15   C        -3.7894   11.1273    0.0081  C     
16   C        -2.7173   12.4913    1.6496  C     
17   C        -2.6360   11.1967   -0.7966  C     
18   O        -2.5164   10.5449   -1.9950  O     
19   O         0.7334   12.6579   -3.3501  O     
20   C         1.2298   11.4043   -3.8862  C     
21   C        -1.9937   10.7867   -4.4234  C     
22   C        -2.4687   11.4578   -3.1117  C     
23   C         0.3979   10.1808   -3.4239  C     
24   C        -0.8273    9.7752   -4.2865  C     
25   C        -4.8604   10.5065   -0.3885  C     
26   N        -5.8003    9.9690   -0.7616  N     
27   N         4.4642   15.3122   -4.4934  N     
28   C         5.7342   15.9446   -4.5349  C     
29   C         6.7986   14.9371   -4.5428  C     
30   N         8.0420   13.2494   -5.2156  N     
31   C         8.3942   13.5813   -3.9656  C     
32   N         7.6422   14.6177   -3.5419  N     
33   C         7.0588   14.0776   -5.5971  C     
34   H         0.1670   12.8547   -1.1106  H     
35   H        -0.5962   13.7147    2.1522  H     
36   H         3.1539   14.7175   -0.1287  H     
37   H         2.4664   13.9128   -4.8281  H     
38   H        -2.7712   12.9568    2.5607  H     
39   H         1.2335   11.4551   -4.9810  H     
40   H         2.2625   11.2206   -3.5695  H     
41   H        -2.8466   10.2619   -4.8646  H     
42   H        -1.7023   11.5734   -5.1258  H     
43   H        -3.4811   11.8549   -3.2701  H     
44   H        -1.8054   12.3108   -2.9210  H     
45   H         1.0638    9.3120   -3.4260  H     
46   H         0.0924   10.3373   -2.3853  H     
47   H        -1.2332    8.8542   -3.8591  H     
48   H        -0.4754    9.5282   -5.2886  H     
49   H         4.1075   15.0972   -5.3701  H     
50   H         5.7884   16.5237   -5.4500  H     
51   H         5.8769   16.6515   -3.7048  H     
52   H         8.4119   12.5044   -5.7403  H     
53   H         9.1114   13.1007   -3.4078  H     
54   H         6.5704   14.0316   -6.4944  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   32 1
    33   29   33 2
    34   30   31 1
    35   30   33 1
    36   31   32 2
    37    3   34 1
    38    4   35 1
    39    6   36 1
    40    9   37 1
    41   16   38 1
    42   20   39 1
    43   20   40 1
    44   21   41 1
    45   21   42 1
    46   22   43 1
    47   22   44 1
    48   23   45 1
    49   23   46 1
    50   24   47 1
    51   24   48 1
    52   27   49 1
    53   28   50 1
    54   28   51 1
    55   30   52 1
    56   31   53 1
    57   33   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0153
  Crash		| -3.2650
  Polar		| 5.3635
  FragIndex	| 1
  FragRMSD	| 0.983