@<TRIPOS>MOLECULE
BindingDB_18050
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.8861   18.5671   31.7825  C     
2    N        12.9650   19.1701   30.9838  N     
3    N        13.4053   17.6837   29.2162  N     
4    C        12.7237   18.7409   29.7161  C     
5    N        14.0685   19.0387   33.0274  N     
6    N        11.8378   19.3712   28.9343  N     
7    C        14.3357   17.0409   29.9623  C     
8    C        14.6149   17.4676   31.2858  C     
9    C        15.9632   15.3327   30.1533  C     
10   C        16.2622   15.7451   31.4686  C     
11   N        15.5687   16.8010   31.9862  N     
12   N        15.0164   15.9907   29.4448  N     
13   C        17.3264   15.0767   32.2499  C     
14   N        17.0708   13.6630   32.4276  N     
15   C        17.8505   12.6802   31.7243  C     
16   C        16.1278   13.2535   33.3126  C     
17   C        15.4787   12.5059   35.5518  C     
18   C        16.4695   12.9162   34.6379  C     
19   C        14.7755   13.1742   32.9281  C     
20   C        13.7878   12.7572   33.8488  C     
21   C        14.1114   12.4106   35.1859  C     
22   C        13.1323   11.9844   36.0909  C     
23   O        12.0660   11.5640   35.6578  O     
24   N        13.3371   11.9980   37.3988  N     
25   C        12.5209   11.4215   38.4210  C     
26   C        13.4189   10.7029   39.4823  C     
27   C        14.4988    9.7356   38.9000  C     
28   C        13.9712    8.4106   38.5217  C     
29   O        14.1909    7.3432   39.3236  O     
30   O        13.5738    8.1744   37.2515  O     
31   C        11.6261   12.4153   39.0740  C     
32   O        11.2647   13.5641   38.4474  O     
33   O        11.0896   12.1714   40.2926  O     
34   H        14.7126   18.6180   33.6186  H     
35   H        13.5339   19.7825   33.3493  H     
36   H        11.6969   19.0613   28.0255  H     
37   H        11.3554   20.1467   29.2610  H     
38   H        16.4595   14.5497   29.7198  H     
39   H        18.2689   15.2594   31.7185  H     
40   H        17.4415   15.5531   33.2359  H     
41   H        18.4551   13.1105   30.9243  H     
42   H        17.1968   11.9299   31.2701  H     
43   H        18.5269   12.1875   32.4223  H     
44   H        15.7860   12.2556   36.5012  H     
45   H        17.4425   12.9605   34.9449  H     
46   H        14.4886   13.4279   31.9757  H     
47   H        12.8126   12.7278   33.5180  H     
48   H        14.1775   12.3642   37.6860  H     
49   H        11.8719   10.6540   37.9870  H     
50   H        13.9176   11.4628   40.1072  H     
51   H        12.7771   10.1182   40.1612  H     
52   H        14.9608   10.2050   38.0308  H     
53   H        15.2854    9.5977   39.6461  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    8 1
     4    2    4 1
     5    3    4 2
     6    3    7 1
     7    4    6 1
     8    7    8 2
     9    7   12 1
    10    8   11 1
    11    9   10 1
    12    9   12 2
    13   10   11 2
    14   10   13 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25   22   23 2
    26   22   24 am
    27   24   25 1
    28   25   26 1
    29   25   31 1
    30   26   27 1
    31   27   28 1
    32   28   29 2
    33   28   30 1
    34   31   32 2
    35   31   33 1
    36    5   34 1
    37    5   35 1
    38    6   36 1
    39    6   37 1
    40    9   38 1
    41   13   39 1
    42   13   40 1
    43   15   41 1
    44   15   42 1
    45   15   43 1
    46   17   44 1
    47   18   45 1
    48   19   46 1
    49   20   47 1
    50   24   48 1
    51   25   49 1
    52   26   50 1
    53   26   51 1
    54   27   52 1
    55   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7201
  Crash		| -1.1839
  Polar		| 4.2610
  FragIndex	| 1
  FragRMSD	| 1.011