@<TRIPOS>MOLECULE
BindingDB_11450
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.4870   -9.8659    8.6720  C     
2    C         9.4942   -9.9428    9.6483  C     
3    C         9.7391  -11.1499   10.3469  C     
4    C         8.8986  -12.2557   10.0839  C     
5    C         7.9023  -12.1880    9.0921  C     
6    C         7.6895  -10.9913    8.3759  C     
7    N        10.7136  -11.3060   11.2845  N     
8    C        11.7913  -10.5442   11.5423  C     
9    C        12.5218   -9.9460   10.5690  C     
10   C        13.6098   -9.1230   10.8988  C     
11   C        13.3169   -9.7177   13.1448  C     
12   C        12.5190  -10.5326   14.9231  C     
13   N        13.9997   -9.0405   12.1970  N     
14   N        12.2344  -10.4455   12.8179  N     
15   N        11.7467  -10.9513   13.9103  N     
16   N        13.5128   -9.7630   14.4641  N     
17   N         7.1044  -10.4988    5.6377  N     
18   S         6.4622  -10.8566    7.1459  S     
19   O         5.4280  -12.0611    7.0645  O     
20   O         5.6532   -9.5555    7.5620  O     
21   N        14.3193   -8.3606   10.0309  N     
22   C        14.1547   -8.2148    8.6125  C     
23   C        12.6894   -7.8767    8.1928  C     
24   C        12.5635   -7.6797    6.6613  C     
25   C        13.5266   -6.5849    6.1367  C     
26   C        14.9892   -6.8573    6.5845  C     
27   C        15.1044   -7.0843    8.1136  C     
28   O        13.4495   -6.5404    4.7132  O     
29   H         8.3378   -8.9781    8.1765  H     
30   H        10.0228   -9.0964    9.8663  H     
31   H         9.0444  -13.1371   10.5850  H     
32   H         7.3439  -13.0188    8.8947  H     
33   H        10.5832  -12.0628   11.8747  H     
34   H        12.2967  -10.1024    9.6156  H     
35   H        12.3599  -10.7536   15.9057  H     
36   H         6.5802   -9.9843    4.9975  H     
37   H         7.9469  -10.9016    5.3630  H     
38   H        15.0500   -7.8579   10.4224  H     
39   H        14.4697   -9.1508    8.1346  H     
40   H        12.0123   -8.6761    8.4865  H     
41   H        12.3615   -6.9683    8.7021  H     
42   H        12.7824   -8.6282    6.1610  H     
43   H        11.5342   -7.3990    6.4133  H     
44   H        13.2065   -5.6136    6.5278  H     
45   H        15.3729   -7.7416    6.0657  H     
46   H        15.6090   -6.0052    6.3063  H     
47   H        14.8714   -6.1482    8.6346  H     
48   H        16.1426   -7.3411    8.3525  H     
49   H        14.3865   -6.5554    4.4021  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   22   21 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   28 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5127
  Crash		| -1.3448
  Polar		| 5.8053
  FragIndex	| 1
  FragRMSD	| 1.088