@<TRIPOS>MOLECULE
BindingDB_13455
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -18.0907   44.7960   48.6592  C     
2    C       -18.9340   45.6026   47.8674  C     
3    C       -19.1805   46.9500   48.2112  C     
4    C       -18.4745   47.4925   49.3050  C     
5    N       -20.0502   47.6649   47.4397  N     
6    O       -19.8154   50.3857   47.0841  O     
7    S       -20.7370   49.1680   47.8027  S     
8    O       -22.2936   49.2058   47.1454  O     
9    O       -20.8942   49.4908   49.4563  O     
10   C       -17.5772   46.7075   50.0616  C     
11   C       -17.4378   45.3361   49.7897  C     
12   C       -16.7744   47.3369   51.1292  C     
13   C       -16.7324   44.5154   50.8036  C     
14   C       -15.4441   45.1989   51.3779  C     
15   N       -15.6591   46.6089   51.7622  N     
16   C       -14.3456   44.9824   50.4472  C     
17   O       -14.4087   45.4760   49.3294  O     
18   N       -13.3728   44.1370   50.7837  N     
19   C       -12.2519   43.7452   49.9980  C     
20   C       -14.9349   47.3150   52.6796  C     
21   O       -15.3379   48.4448   52.9573  O     
22   C       -13.7690   47.0486   53.5347  C     
23   C       -12.7516   45.8968   53.3851  C     
24   C       -11.7560   45.9314   52.2616  C     
25   C        -9.4852   45.4038   51.4630  C     
26   C       -10.4786   45.3512   52.4603  C     
27   C       -11.9954   46.5662   51.0174  C     
28   C       -11.0184   46.5884   50.0023  C     
29   C        -9.7507   46.0057   50.2139  C     
30   C        -8.7182   45.9898   49.1537  C     
31   H       -17.9840   43.8083   48.4244  H     
32   H       -19.4065   45.1847   47.0609  H     
33   H       -18.5755   48.4784   49.5379  H     
34   H       -20.5113   47.1633   46.7481  H     
35   H       -16.3562   48.2446   50.6798  H     
36   H       -17.4874   47.6354   51.9049  H     
37   H       -17.4342   44.3932   51.6336  H     
38   H       -16.5203   43.5128   50.4237  H     
39   H       -15.2130   44.6005   52.2641  H     
40   H       -13.4396   43.7177   51.6576  H     
41   H       -12.1394   44.3605   49.1051  H     
42   H       -12.3549   42.7008   49.7067  H     
43   H       -11.3549   43.8289   50.6001  H     
44   H       -13.1465   47.9535   53.5538  H     
45   H       -14.1786   46.9432   54.5471  H     
46   H       -12.1519   45.9287   54.3018  H     
47   H       -13.3104   44.9709   53.4466  H     
48   H        -8.5727   44.9799   51.6467  H     
49   H       -10.2564   44.8885   53.3458  H     
50   H       -12.8965   47.0080   50.8264  H     
51   H       -11.2410   47.0392   49.1113  H     
52   H        -7.8308   46.5254   49.4958  H     
53   H        -9.0672   46.4587   48.2317  H     
54   H        -8.4447   44.9563   48.9288  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 1
    25   23   24 1
    26   24   26 2
    27   24   27 1
    28   25   26 1
    29   25   29 2
    30   27   28 2
    31   28   29 1
    32   29   30 1
    33    1   31 1
    34    2   32 1
    35    4   33 1
    36    5   34 1
    37   12   35 1
    38   12   36 1
    39   13   37 1
    40   13   38 1
    41   14   39 1
    42   18   40 1
    43   19   41 1
    44   19   42 1
    45   19   43 1
    46   22   44 1
    47   22   45 1
    48   23   46 1
    49   23   47 1
    50   25   48 1
    51   26   49 1
    52   27   50 1
    53   28   51 1
    54   30   52 1
    55   30   53 1
    56   30   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0612
  Crash		| -4.7444
  Polar		| 2.7255
  FragIndex	| 1
  FragRMSD	| 1.325