@<TRIPOS>MOLECULE
BindingDB_18039
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.5464   96.3593  143.6799  C     
2    C         9.0896   94.5570  143.4369  C     
3    C         8.6599   94.3622  142.0949  C     
4    C         7.5908   95.1610  141.6273  C     
5    N         8.5096   95.5505  144.1635  N     
6    N         7.0733   96.1326  142.4218  N     
7    N         7.0897   97.3686  144.4289  N     
8    N         7.0962   95.0500  140.3729  N     
9    C        10.2016   93.8460  144.1167  C     
10   C        11.4449   94.7480  144.3731  C     
11   C         9.4219   93.5889  141.1948  C     
12   C         9.1660   92.2234  140.9514  C     
13   C        10.0497   91.4575  140.1603  C     
14   C        10.5644   94.1798  140.6240  C     
15   C        11.2396   92.0509  139.6984  C     
16   C        11.5301   93.3990  139.9544  C     
17   C        13.2587   92.5859  138.8862  C     
18   C        12.3212   91.5479  138.9934  C     
19   C        14.4764   92.3157  138.2313  C     
20   C        12.5334   90.2667  138.4432  C     
21   C        13.7269   90.0410  137.7487  C     
22   C        14.7068   91.0436  137.6538  C     
23   N        12.7674   93.7112  139.4763  N     
24   C        13.4322   95.0018  139.5261  C     
25   C        14.0761   95.3652  140.9081  C     
26   C        14.2251   96.8967  141.2225  C     
27   O        15.2460   97.1180  142.2115  O     
28   C        15.0616   98.3172  143.0184  C     
29   H         6.4486   97.9924  144.0723  H     
30   H         7.4860   97.5157  145.2962  H     
31   H         6.3754   95.6424  140.0726  H     
32   H         7.4489   94.3984  139.7421  H     
33   H         9.8446   93.4718  145.0800  H     
34   H        10.5149   92.9737  143.5465  H     
35   H        11.8304   95.1311  143.4310  H     
36   H        12.2238   94.1710  144.8635  H     
37   H        11.1863   95.5959  145.0167  H     
38   H         8.3472   91.7674  141.3595  H     
39   H         9.8672   90.4748  139.9940  H     
40   H        10.6701   95.1860  140.7440  H     
41   H        15.1962   93.0259  138.1481  H     
42   H        11.8175   89.5450  138.5438  H     
43   H        13.8730   89.1346  137.3186  H     
44   H        15.5746   90.8520  137.1695  H     
45   H        14.2397   95.0975  138.7758  H     
46   H        12.6818   95.7594  139.2614  H     
47   H        13.4038   94.9849  141.6832  H     
48   H        15.0339   94.8000  141.0402  H     
49   H        14.4642   97.4450  140.3061  H     
50   H        13.2575   97.2510  141.5967  H     
51   H        15.0241   99.2167  142.4065  H     
52   H        15.9027   98.4127  143.6987  H     
53   H        14.1653   98.2601  143.6368  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 2
     3    1    7 1
     4    2    3 1
     5    2    5 2
     6    2    9 1
     7    3    4 2
     8    3   11 1
     9    4    6 1
    10    4    8 1
    11    9   10 1
    12   11   12 1
    13   11   14 2
    14   12   13 2
    15   13   15 1
    16   14   16 1
    17   15   16 2
    18   15   18 1
    19   16   23 1
    20   17   18 2
    21   17   19 1
    22   17   23 1
    23   18   20 1
    24   19   22 2
    25   20   21 2
    26   21   22 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   26   27 1
    31   27   28 1
    32    7   29 1
    33    7   30 1
    34    8   31 1
    35    8   32 1
    36    9   33 1
    37    9   34 1
    38   10   35 1
    39   10   36 1
    40   10   37 1
    41   12   38 1
    42   13   39 1
    43   14   40 1
    44   19   41 1
    45   20   42 1
    46   21   43 1
    47   22   44 1
    48   24   45 1
    49   24   46 1
    50   25   47 1
    51   25   48 1
    52   26   49 1
    53   26   50 1
    54   28   51 1
    55   28   52 1
    56   28   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 11.8520
  Crash		| -0.9834
  Polar		| 5.2402
  FragIndex	| 1
  FragRMSD	| 0.301