@<TRIPOS>MOLECULE
BindingDB_18006
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        78.7595   25.9161   73.4836  C     
2    C        80.2084   24.0240   73.5598  C     
3    C        79.7828   23.6307   72.2597  C     
4    C        78.7798   24.4273   71.6380  C     
5    N        78.3129   25.5356   72.2636  N     
6    N        79.6839   25.1522   74.1122  N     
7    N        78.3334   27.0583   74.0426  N     
8    C        80.5069   22.6901   71.4809  C     
9    C        81.8125   23.0515   71.0859  C     
10   C        79.9010   21.5598   70.8852  C     
11   C        80.5454   20.8905   69.8305  C     
12   C        82.4638   22.4266   70.0042  C     
13   C        81.7829   21.3701   69.3479  C     
14   O        82.2275   21.0069   68.0959  O     
15   N        83.5736   22.9961   69.3813  N     
16   C        84.6503   23.5803   70.1773  C     
17   C        83.6515   22.9201   68.0344  C     
18   O        84.5621   23.4754   67.4263  O     
19   C        83.2278   21.5147   66.0085  C     
20   C        84.4403   20.5718   63.6041  C     
21   C        85.2332   20.9594   64.6955  C     
22   C        84.6337   21.3679   65.8970  C     
23   C        82.4466   21.1292   64.8828  C     
24   C        83.0404   20.6437   63.7058  C     
25   C        82.6471   22.1327   67.2650  C     
26   C        81.4083   23.0583   66.9865  C     
27   F        86.5331   20.9786   64.5822  F     
28   F        82.2947   20.2789   62.7015  F     
29   N        78.2880   24.2054   70.4026  N     
30   C        81.2352   23.3176   74.3719  C     
31   C        82.5462   24.1318   74.5023  C     
32   C        84.9662   25.0945   69.9888  C     
33   C        83.8884   26.1157   70.4484  C     
34   C        82.7294   26.0276   69.7262  C     
35   N        81.7883   25.9632   69.0629  N     
36   H        78.6960   27.3280   74.8982  H     
37   H        77.7746   27.6646   73.5431  H     
38   H        82.2354   23.8734   71.5063  H     
39   H        78.9537   21.2794   71.1563  H     
40   H        80.0611   20.1365   69.3385  H     
41   H        84.4852   23.4060   71.2435  H     
42   H        85.5698   23.0364   69.9434  H     
43   H        84.8773   20.2700   62.7339  H     
44   H        85.2414   21.6298   66.6779  H     
45   H        81.4251   21.2031   64.8914  H     
46   H        80.5928   22.4749   66.5530  H     
47   H        81.6665   23.8708   66.3046  H     
48   H        81.0257   23.5145   67.8970  H     
49   H        77.5986   24.7925   70.0396  H     
50   H        78.6023   23.4629   69.8665  H     
51   H        80.8157   23.1348   75.3679  H     
52   H        81.4764   22.3375   73.9520  H     
53   H        82.9853   24.3216   73.5221  H     
54   H        83.2638   23.5755   75.1105  H     
55   H        82.3540   25.0918   74.9854  H     
56   H        85.8796   25.3030   70.5579  H     
57   H        85.2097   25.2782   68.9337  H     
58   H        83.6595   25.9913   71.5034  H     
59   H        84.2723   27.1290   70.3081  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2   30 1
     7    3    4 2
     8    3    8 1
     9    4    5 1
    10    4   29 1
    11    8    9 1
    12    8   10 2
    13    9   12 2
    14   10   11 1
    15   11   13 2
    16   12   13 1
    17   12   15 1
    18   13   14 1
    19   14   25 1
    20   15   16 1
    21   15   17 1
    22   16   32 1
    23   17   18 2
    24   17   25 1
    25   19   22 1
    26   19   23 2
    27   19   25 1
    28   20   21 1
    29   20   24 2
    30   21   22 2
    31   21   27 1
    32   23   24 1
    33   24   28 1
    34   25   26 1
    35   30   31 1
    36   32   33 1
    37   33   34 1
    38   34   35 3
    39    7   36 1
    40    7   37 1
    41    9   38 1
    42   10   39 1
    43   11   40 1
    44   16   41 1
    45   16   42 1
    46   20   43 1
    47   22   44 1
    48   23   45 1
    49   26   46 1
    50   26   47 1
    51   26   48 1
    52   29   49 1
    53   29   50 1
    54   30   51 1
    55   30   52 1
    56   31   53 1
    57   31   54 1
    58   31   55 1
    59   32   56 1
    60   32   57 1
    61   33   58 1
    62   33   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7329
  Crash		| -3.7989
  Polar		| 4.3976
  FragIndex	| 1
  FragRMSD	| 1.196