@<TRIPOS>MOLECULE
BindingDB_12417
 54 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -6.3810    4.5297   14.9507  C     
2    C        -6.6611    3.3722   15.6911  C     
3    C        -5.6326    2.4771   16.0345  C     
4    C        -4.3139    2.7711   15.6332  C     
5    C        -4.0335    3.9472   14.9057  C     
6    N        -7.5941    0.9036   17.4879  N     
7    S        -6.0231    1.0279   16.9142  S     
8    O        -5.7917   -0.2663   16.0254  O     
9    O        -5.0713    0.8320   18.1722  O     
10   C        -5.0605    4.8615   14.5450  C     
11   C        -4.8146    6.0469   13.8175  C     
12   O        -5.7682    6.7322   13.4603  O     
13   N        -3.5930    6.4754   13.5007  N     
14   C        -3.2444    7.6913   12.8093  C     
15   C        -2.2312    8.5055   13.6396  C     
16   O        -2.7051    8.5560   15.0020  O     
17   C        -1.7217    8.6771   16.0436  C     
18   C        -0.9182   10.0108   16.0080  C     
19   O         0.4819    9.7213   15.8138  O     
20   C         1.4112   10.8000   16.0676  C     
21   C         2.0548   11.2815   14.7378  C     
22   N         2.2822   10.1956   13.7252  N     
23   C         2.1818   10.6719   12.3019  C     
24   C         3.4702    9.3066   13.9629  C     
25   O         3.0137   12.9515   11.9679  O     
26   C         3.2224    7.9163   13.5330  C     
27   O         2.2772    7.6089   12.6109  O     
28   O         3.8528    6.8932   14.1533  O     
29   C         3.2332   11.6231   11.8767  C     
30   O         4.2236   11.2039   11.0578  O     
31   H        -7.1673    5.1396   14.7129  H     
32   H        -7.6249    3.1887   15.9708  H     
33   H        -3.5552    2.1279   15.8646  H     
34   H        -3.0601    4.1144   14.6357  H     
35   H        -7.7803    1.0448   18.4285  H     
36   H        -8.2968    0.5966   16.8952  H     
37   H        -2.8394    5.9380   13.7946  H     
38   H        -2.7923    7.4215   11.8502  H     
39   H        -4.1194    8.3217   12.5938  H     
40   H        -1.2426    8.0315   13.5473  H     
41   H        -2.1641    9.5269   13.2447  H     
42   H        -2.2859    8.6368   16.9788  H     
43   H        -1.0434    7.8157   16.0485  H     
44   H        -1.2772   10.6353   15.1787  H     
45   H        -1.1074   10.5552   16.9446  H     
46   H         0.9548   11.6720   16.5676  H     
47   H         2.1864   10.4232   16.7356  H     
48   H         1.3571   12.0151   14.3144  H     
49   H         2.9911   11.8057   14.9566  H     
50   H         1.4691    9.5863   13.8415  H     
51   H         2.1911    9.8088   11.6310  H     
52   H         1.2080   11.1504   12.1586  H     
53   H         4.3578    9.6762   13.4383  H     
54   H         3.7326    9.2630   15.0206  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   10 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5   10 2
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 am
    14   13   14 1
    15   14   15 1
    16   15   16 1
    17   16   17 1
    18   17   18 1
    19   18   19 1
    20   19   20 1
    21   20   21 1
    22   21   22 1
    23   22   23 1
    24   22   24 1
    25   23   29 1
    26   24   26 1
    27   25   29 2
    28   26   27 2
    29   26   28 1
    30   29   30 1
    31    1   31 1
    32    2   32 1
    33    4   33 1
    34    5   34 1
    35    6   35 1
    36    6   36 1
    37   13   37 1
    38   14   38 1
    39   14   39 1
    40   15   40 1
    41   15   41 1
    42   17   42 1
    43   17   43 1
    44   18   44 1
    45   18   45 1
    46   20   46 1
    47   20   47 1
    48   21   48 1
    49   21   49 1
    50   22   50 1
    51   23   51 1
    52   23   52 1
    53   24   53 1
    54   24   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5844
  Crash		| -1.8637
  Polar		| 2.4226
  FragIndex	| 1
  FragRMSD	| 0.873