@<TRIPOS>MOLECULE
BindingDB_14390
 64 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.3741   63.7596   38.6583  C     
2    C         0.0514   64.1280   37.3262  C     
3    C        -0.8575   65.1610   37.0553  C     
4    C        -1.4662   65.8680   38.1057  C     
5    C        -1.1106   65.5552   39.4327  C     
6    C        -0.1869   64.5161   39.7280  C     
7    O         1.3786   62.8488   38.9168  O     
8    C         1.4547   61.5750   38.2275  C     
9    C         0.8128   60.4047   39.0032  C     
10   O        -3.8091   66.3890   37.0247  O     
11   O        -3.2192   67.8402   39.0208  O     
12   S        -2.6008   67.1457   37.7362  S     
13   C        -2.6521   68.7713   35.5336  C     
14   C        -3.1827   70.2038   35.8122  C     
15   C        -1.3227   70.5529   37.4139  C     
16   C        -0.8265   69.1073   37.1395  C     
17   N        -1.9325   68.2988   36.6844  N     
18   N        -2.1075   71.1370   36.2774  N     
19   C        -1.2566   71.6828   35.1796  C     
20   C         0.1727   64.3190   41.0914  C     
21   C         0.6255   62.8687   42.9112  C     
22   N         0.3139   65.4031   41.9109  N     
23   N         0.3405   63.0681   41.6219  N     
24   O         0.7722   61.7267   43.3160  O     
25   C         0.7573   63.9586   43.7622  C     
26   C         0.6070   65.2320   43.2288  C     
27   C         0.8245   66.1238   44.2683  C     
28   N         1.0687   65.3845   45.3667  N     
29   N         1.0222   64.1182   45.0782  N     
30   C         1.2331   63.0892   46.0359  C     
31   C         0.8444   67.6001   44.2280  C     
32   C        -0.5769   68.2173   44.1629  C     
33   C        -0.5527   69.7586   44.0340  C     
34   H         0.5045   63.6617   36.5353  H     
35   H        -1.0615   65.4015   36.0804  H     
36   H        -1.5374   66.0963   40.1916  H     
37   H         1.0505   61.5845   37.2170  H     
38   H         2.5202   61.3338   38.1242  H     
39   H         1.3509   60.2295   39.9418  H     
40   H         0.8621   59.4861   38.4016  H     
41   H        -0.2301   60.6209   39.2258  H     
42   H        -3.4909   68.1295   35.2532  H     
43   H        -1.9789   68.7989   34.6724  H     
44   H        -3.6780   70.5964   34.9202  H     
45   H        -3.9451   70.1464   36.5943  H     
46   H        -1.9712   70.5267   38.2959  H     
47   H        -0.4675   71.1866   37.6741  H     
48   H        -0.0561   69.1202   36.3654  H     
49   H        -0.3616   68.7040   38.0435  H     
50   H        -2.5861   71.9491   36.6669  H     
51   H        -0.5755   72.4400   35.5726  H     
52   H        -1.8814   72.1685   34.4281  H     
53   H        -0.6675   70.9051   34.6919  H     
54   H         0.2323   62.2924   41.0454  H     
55   H         0.3552   62.4398   46.0846  H     
56   H         1.4106   63.5032   47.0334  H     
57   H         2.1038   62.4963   45.7492  H     
58   H         1.3445   67.9682   45.1271  H     
59   H         1.4361   67.9215   43.3663  H     
60   H        -1.1196   67.8082   43.3065  H     
61   H        -1.1273   67.9536   45.0721  H     
62   H        -0.0497   70.2079   44.8929  H     
63   H        -1.5726   70.1446   43.9891  H     
64   H        -0.0326   70.0549   43.1209  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   12 1
     8    5    6 1
     9    6   20 1
    10    7    8 1
    11    8    9 1
    12   10   12 2
    13   11   12 2
    14   12   17 1
    15   13   14 1
    16   13   17 1
    17   14   18 1
    18   15   16 1
    19   15   18 1
    20   16   17 1
    21   18   19 1
    22   20   22 2
    23   20   23 1
    24   21   23 1
    25   21   24 2
    26   21   25 1
    27   22   26 1
    28   25   26 2
    29   25   29 1
    30   26   27 1
    31   27   28 2
    32   27   31 1
    33   28   29 1
    34   29   30 1
    35   31   32 1
    36   32   33 1
    37    2   34 1
    38    3   35 1
    39    5   36 1
    40    8   37 1
    41    8   38 1
    42    9   39 1
    43    9   40 1
    44    9   41 1
    45   13   42 1
    46   13   43 1
    47   14   44 1
    48   14   45 1
    49   15   46 1
    50   15   47 1
    51   16   48 1
    52   16   49 1
    53   18   50 1
    54   19   51 1
    55   19   52 1
    56   19   53 1
    57   23   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
    61   31   58 1
    62   31   59 1
    63   32   60 1
    64   32   61 1
    65   33   62 1
    66   33   63 1
    67   33   64 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4312
  Crash		| -1.3450
  Polar		| 0.0852
  FragIndex	| 1
  FragRMSD	| 0.499