@<TRIPOS>MOLECULE
BindingDB_18037
 52 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.4761   96.1945  143.6881  C     
2    C         9.2238   94.5857  143.4744  C     
3    C         8.8676   94.3656  142.1148  C     
4    C         7.7419   95.0725  141.6200  C     
5    N         8.5206   95.4992  144.1868  N     
6    N         7.0926   95.9682  142.4123  N     
7    N         6.8607   97.0928  144.4702  N     
8    N         7.2565   94.9149  140.3757  N     
9    C        10.2911   93.8606  144.2162  C     
10   C        11.5830   94.6932  144.3389  C     
11   C         9.6271   93.5097  141.2771  C     
12   C         9.1751   92.2184  140.9661  C     
13   C         9.9602   91.3764  140.1632  C     
14   C        10.8687   93.9487  140.7592  C     
15   C        11.6709   93.1421  139.8995  C     
16   C        11.2034   91.8171  139.6395  C     
17   C        11.9571   90.8805  138.7602  C     
18   C        13.4499   91.2596  138.6535  C     
19   C        13.6030   92.7727  138.4031  C     
20   N        12.8688   93.6002  139.3489  N     
21   C        13.4091   94.9371  139.5900  C     
22   C        13.9626   95.0690  141.0421  C     
23   C        13.8583   96.4840  141.6673  C     
24   O        15.0743   96.9608  142.2660  O     
25   C        14.9813   98.2610  142.8746  C     
26   H         6.1243   97.6262  144.1257  H     
27   H         7.1706   97.2267  145.3799  H     
28   H         6.4599   95.3908  140.0935  H     
29   H         7.6734   94.2816  139.7680  H     
30   H         9.9148   93.6380  145.2166  H     
31   H        10.5348   92.9065  143.7501  H     
32   H        11.9794   94.9244  143.3445  H     
33   H        12.3348   94.1208  144.8913  H     
34   H        11.4087   95.6279  144.8766  H     
35   H         8.2848   91.8755  141.3406  H     
36   H         9.6211   90.4348  139.9614  H     
37   H        11.1651   94.8878  141.0136  H     
38   H        11.8979   89.8624  139.1483  H     
39   H        11.5021   90.8819  137.7692  H     
40   H        13.9521   91.0023  139.5891  H     
41   H        13.9203   90.6870  137.8530  H     
42   H        14.6750   92.9955  138.4284  H     
43   H        13.2471   93.0041  137.3928  H     
44   H        14.2193   95.1980  138.8908  H     
45   H        12.6382   95.6799  139.3746  H     
46   H        13.4247   94.3773  141.6957  H     
47   H        15.0112   94.7592  141.0477  H     
48   H        13.4432   97.1883  140.9452  H     
49   H        13.1419   96.4204  142.4789  H     
50   H        14.6884   98.9964  142.1127  H     
51   H        15.9574   98.5238  143.2644  H     
52   H        14.2539   98.2759  143.6933  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 2
     5    2    5 1
     6    2    9 1
     7    3    4 1
     8    3   11 1
     9    4    6 2
    10    4    8 1
    11    9   10 1
    12   11   12 2
    13   11   14 1
    14   12   13 1
    15   13   16 2
    16   14   15 2
    17   15   16 1
    18   15   20 1
    19   16   17 1
    20   17   18 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25   22   23 1
    26   23   24 1
    27   24   25 1
    28    7   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   10   33 1
    36   10   34 1
    37   12   35 1
    38   13   36 1
    39   14   37 1
    40   17   38 1
    41   17   39 1
    42   18   40 1
    43   18   41 1
    44   19   42 1
    45   19   43 1
    46   21   44 1
    47   21   45 1
    48   22   46 1
    49   22   47 1
    50   23   48 1
    51   23   49 1
    52   25   50 1
    53   25   51 1
    54   25   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7660
  Crash		| -1.0054
  Polar		| 4.1003
  FragIndex	| 1
  FragRMSD	| 0.322