@<TRIPOS>MOLECULE
BindingDB_13498
 66 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8378   17.3176   78.8012  C     
2    C        16.1362   17.1883   80.1801  C     
3    C        17.4468   16.8637   80.6038  C     
4    C        18.4804   16.6628   79.6521  C     
5    C        18.1874   16.8584   78.2823  C     
6    C        16.8864   17.1764   77.8611  C     
7    C        19.8629   16.2356   80.0327  C     
8    C        21.8020   16.7000   81.3553  C     
9    C        20.8221   17.3535   80.5118  C     
10   N        21.5064   15.5105   81.8104  N     
11   O        18.9728   15.0420   82.5008  O     
12   O        22.8433   17.2619   81.6893  O     
13   C        14.4453   17.5434   78.3192  C     
14   C        13.8284   18.9264   78.6630  C     
15   C        14.5256   20.0916   78.0646  C     
16   C        15.2715   21.5687   76.6458  C     
17   C        15.3792   22.0637   77.9537  C     
18   C        16.2444   23.6202   75.7838  C     
19   C        15.7144   22.3270   75.5387  C     
20   C        15.8662   23.3632   78.1933  C     
21   C        16.3042   24.1445   77.1007  C     
22   N        14.8775   21.1499   78.8255  N     
23   N        14.7385   20.3350   76.7395  N     
24   S        19.9982   14.9558   81.2898  S     
25   O        20.1018   13.5201   80.6119  O     
26   N        12.4711   18.9019   78.2231  N     
27   S        11.3985   20.1686   78.5266  S     
28   O        10.0093   19.7015   79.1696  O     
29   O        12.0452   21.1730   79.5759  O     
30   C        11.1777   21.0152   77.0259  C     
31   C        10.1967   20.5824   76.1188  C     
32   C        12.0230   22.0931   76.6633  C     
33   C        11.8726   22.7345   75.4200  C     
34   C        10.8732   22.3172   74.5067  C     
35   C        10.0335   21.2341   74.8745  C     
36   C        10.0547   22.2936   72.0599  C     
37   C         9.8956   24.3902   73.5272  C     
38   C        10.6935   23.0894   73.2276  C     
39   H        15.4040   17.2853   80.8895  H     
40   H        17.6285   16.7502   81.6061  H     
41   H        18.9231   16.7547   77.5716  H     
42   H        16.7088   17.2700   76.8555  H     
43   H        20.3537   15.7738   79.1655  H     
44   H        21.3012   17.8351   79.6522  H     
45   H        20.2993   18.1210   81.0895  H     
46   H        22.1332   14.9672   82.3195  H     
47   H        14.3896   17.3975   77.2327  H     
48   H        13.8329   16.7514   78.7641  H     
49   H        13.8162   19.0288   79.7495  H     
50   H        16.5788   24.1881   74.9926  H     
51   H        15.6757   21.9390   74.5826  H     
52   H        15.9491   23.7116   79.1551  H     
53   H        16.7154   25.0763   77.2662  H     
54   H        14.4992   19.7591   75.9822  H     
55   H        12.2631   18.3146   77.4733  H     
56   H         9.5772   19.7937   76.3387  H     
57   H        12.7521   22.4185   77.2989  H     
58   H        12.4797   23.5323   75.1974  H     
59   H         9.2822   20.9030   74.2705  H     
60   H        10.5748   21.3503   71.9115  H     
61   H        10.1217   22.8570   71.1156  H     
62   H         9.0033   22.0856   72.2492  H     
63   H         8.9130   24.1485   73.9334  H     
64   H         9.7583   24.9816   72.6206  H     
65   H        10.4189   25.0119   74.2519  H     
66   H        11.6868   23.3884   72.8694  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   24 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   24 1
    15   11   24 2
    16   14   13 1
    17   14   15 1
    18   14   26 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   25 2
    30   26   27 1
    31   27   28 2
    32   27   29 2
    33   27   30 1
    34   30   31 1
    35   30   32 2
    36   31   35 2
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   34   38 1
    41   36   38 1
    42   37   38 1
    43    2   39 1
    44    3   40 1
    45    5   41 1
    46    6   42 1
    47    7   43 1
    48    9   44 1
    49    9   45 1
    50   10   46 1
    51   13   47 1
    52   13   48 1
    53   14   49 1
    54   18   50 1
    55   19   51 1
    56   20   52 1
    57   21   53 1
    58   23   54 1
    59   26   55 1
    60   31   56 1
    61   32   57 1
    62   33   58 1
    63   35   59 1
    64   36   60 1
    65   36   61 1
    66   36   62 1
    67   37   63 1
    68   37   64 1
    69   37   65 1
    70   38   66 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8107
  Crash		| -2.8142
  Polar		| 4.6829
  FragIndex	| 1
  FragRMSD	| 0.901