@<TRIPOS>MOLECULE
BindingDB_24126
 62 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.2079   80.4414   46.3921  C     
2    C        23.2347   80.2651   45.4034  C     
3    C        22.0538   81.0373   45.4052  C     
4    C        21.7912   81.9138   46.5060  C     
5    C        24.0376   81.4040   47.4073  C     
6    C        22.7870   82.0668   47.5307  C     
7    C        25.2390   81.8343   48.1932  C     
8    C        22.5766   82.9660   48.7047  C     
9    C        24.9899   83.0964   49.0815  C     
10   N        23.6680   83.1094   49.6467  N     
11   C        20.4981   82.6605   46.5443  C     
12   C        21.1784   80.8873   44.2047  C     
13   C        25.9299   80.7331   48.9406  C     
14   C        27.3642   78.8654   50.5202  C     
15   C        27.9922   79.4915   49.4314  C     
16   C        27.2793   80.4118   48.6440  C     
17   C        25.2959   80.0620   50.0139  C     
18   C        26.0090   79.1308   50.7881  C     
19   C        23.4527   83.2764   50.9585  C     
20   O        22.5753   82.5610   51.4367  O     
21   N        24.0608   84.1765   51.7678  N     
22   C        23.9831   84.0144   53.2086  C     
23   C        24.5477   85.4557   51.2281  C     
24   C        25.0815   86.5921   52.1722  C     
25   C        24.3947   87.9736   51.9656  C     
26   N        25.1174   89.1573   52.5431  N     
27   C        24.3385   90.4201   52.3417  C     
28   C        25.5550   89.0107   53.9677  C     
29   H        25.0811   79.9104   46.3219  H     
30   H        23.4265   79.6121   44.6422  H     
31   H        25.9291   82.2057   47.4341  H     
32   H        22.3841   83.9662   48.3245  H     
33   H        21.6726   82.6135   49.2091  H     
34   H        25.7758   83.1307   49.8491  H     
35   H        25.1011   83.9887   48.4605  H     
36   H        20.4298   83.3238   45.6745  H     
37   H        20.3440   83.2796   47.4218  H     
38   H        19.6793   81.9455   46.5157  H     
39   H        21.7443   81.1573   43.3136  H     
40   H        20.2846   81.5013   44.2192  H     
41   H        20.8566   79.8501   44.1098  H     
42   H        27.8867   78.2087   51.1025  H     
43   H        28.9725   79.2847   49.2254  H     
44   H        27.7672   80.8717   47.8717  H     
45   H        24.3223   80.2613   50.2427  H     
46   H        25.5426   78.6663   51.5674  H     
47   H        23.3747   84.8223   53.6244  H     
48   H        24.9846   84.0597   53.6322  H     
49   H        23.5570   83.0629   53.5457  H     
50   H        25.3737   85.2741   50.5389  H     
51   H        23.7254   85.8648   50.6246  H     
52   H        24.9370   86.3284   53.2212  H     
53   H        26.1615   86.7126   52.0179  H     
54   H        24.3039   88.1395   50.8875  H     
55   H        23.3853   87.9084   52.3798  H     
56   H        25.9786   89.2602   51.9944  H     
57   H        24.0353   90.5299   51.2918  H     
58   H        24.9434   91.2892   52.6016  H     
59   H        23.4314   90.4241   52.9585  H     
60   H        24.7130   88.7519   54.6144  H     
61   H        26.0125   89.9340   54.3351  H     
62   H        26.3134   88.2306   54.0528  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 am
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   17   18 2
    22   19   20 2
    23   19   21 am
    24   21   22 1
    25   21   23 1
    26   23   24 1
    27   24   25 1
    28   25   26 1
    29   26   27 1
    30   26   28 1
    31    1   29 1
    32    2   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   11   36 1
    39   11   37 1
    40   11   38 1
    41   12   39 1
    42   12   40 1
    43   12   41 1
    44   14   42 1
    45   15   43 1
    46   16   44 1
    47   17   45 1
    48   18   46 1
    49   22   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   24   52 1
    55   24   53 1
    56   25   54 1
    57   25   55 1
    58   26   56 1
    59   27   57 1
    60   27   58 1
    61   27   59 1
    62   28   60 1
    63   28   61 1
    64   28   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5348
  Crash		| -2.4397
  Polar		| 2.2096
  FragIndex	| 1
  FragRMSD	| 1.466