@<TRIPOS>MOLECULE
BindingDB_50216508
 58 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.1354   13.4248  114.2133  C     
2    C        19.1838   14.1309  113.0024  C     
3    C        18.1955   13.9486  111.9990  C     
4    C        17.1548   13.0198  112.2581  C     
5    C        17.0955   12.3243  113.4887  C     
6    C        18.0887   12.5282  114.4614  C     
7    C        18.3389   14.7262  110.7211  C     
8    N        19.5854   14.3569  110.1732  N     
9    C        19.7460   13.9709  108.9473  C     
10   N        18.7357   13.9705  108.1341  N     
11   C        17.5002   14.2564  108.4728  C     
12   C        17.2178   14.6602  109.7447  C     
13   S        21.3138   13.6904  108.3515  S     
14   C        15.9680   15.1591  110.1106  C     
15   O        14.8897   14.3446  110.2247  O     
16   O        15.7973   16.5052  110.2203  O     
17   O        16.0984   11.4470  113.7744  O     
18   C        16.5338   14.1882  107.3778  C     
19   C        14.5799   17.2535  110.3377  C     
20   C        14.7384   18.6687  109.7288  C     
21   O        15.0115   18.7288  108.3125  O     
22   C        15.9205   17.7802  107.7238  C     
23   C        17.3566   17.7658  108.3026  C     
24   O        18.1992   16.9195  107.4930  O     
25   C        19.6040   16.9731  107.8204  C     
26   C        20.4506   16.6238  106.5797  C     
27   O        21.8365   16.4982  106.9658  O     
28   C        22.7868   16.2778  105.9094  C     
29   C        22.8299   14.8139  105.4121  C     
30   O        23.2072   14.7723  104.0404  O     
31   H        19.8564   13.5712  114.9184  H     
32   H        19.9610   14.7790  112.8502  H     
33   H        16.4300   12.8425  111.5569  H     
34   H        18.0493   12.0330  115.3562  H     
35   H        18.4423   15.7802  110.9896  H     
36   H        20.3467   14.4264  110.7173  H     
37   H        18.9111   13.8502  107.2196  H     
38   H        15.4535   11.5201  113.0353  H     
39   H        16.9798   13.8565  106.4366  H     
40   H        16.0897   15.1640  107.1953  H     
41   H        15.7417   13.4711  107.6168  H     
42   H        13.7390   16.7532  109.8586  H     
43   H        14.3521   17.3488  111.3977  H     
44   H        13.8053   19.2130  109.8861  H     
45   H        15.5150   19.2147  110.2658  H     
46   H        15.4824   16.7868  107.7818  H     
47   H        15.9849   18.0372  106.6674  H     
48   H        17.7401   18.7940  108.3184  H     
49   H        17.3440   17.3835  109.3218  H     
50   H        19.8808   17.9735  108.1564  H     
51   H        19.8167   16.2659  108.6217  H     
52   H        20.0834   15.6894  106.1514  H     
53   H        20.3232   17.4191  105.8413  H     
54   H        22.5942   16.9550  105.0707  H     
55   H        23.7714   16.5240  106.3044  H     
56   H        23.5493   14.2321  105.9950  H     
57   H        21.8481   14.3526  105.5044  H     
58   H        24.1801   14.8229  104.0270  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    5   17 1
     9    7    8 1
    10    7   12 1
    11    8    9 1
    12    9   10 1
    13    9   13 2
    14   10   11 1
    15   11   12 2
    16   11   18 1
    17   12   14 1
    18   14   15 2
    19   14   16 1
    20   16   19 1
    21   19   20 1
    22   20   21 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26   24   25 1
    27   25   26 1
    28   26   27 1
    29   27   28 1
    30   28   29 1
    31   29   30 1
    32    1   31 1
    33    2   32 1
    34    4   33 1
    35    6   34 1
    36    7   35 1
    37    8   36 1
    38   10   37 1
    39   17   38 1
    40   18   39 1
    41   18   40 1
    42   18   41 1
    43   19   42 1
    44   19   43 1
    45   20   44 1
    46   20   45 1
    47   22   46 1
    48   22   47 1
    49   23   48 1
    50   23   49 1
    51   25   50 1
    52   25   51 1
    53   26   52 1
    54   26   53 1
    55   28   54 1
    56   28   55 1
    57   29   56 1
    58   29   57 1
    59   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6905
  Crash		| -3.7697
  Polar		| 1.7195
  FragIndex	| 1
  FragRMSD	| 1.260