@<TRIPOS>MOLECULE
BindingDB_50209231
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.1591   16.5176  106.5038  C     
2    C        21.0425   15.3136  107.2598  C     
3    C        22.1560   14.4143  107.1772  C     
4    C        23.2599   14.6782  106.3350  C     
5    C        23.3154   15.8623  105.5907  C     
6    C        22.2722   16.7914  105.6836  C     
7    F        22.3344   17.9060  105.0067  F     
8    F        22.2965   13.3096  107.8620  F     
9    C        19.8638   15.0740  108.0253  C     
10   C        18.8005   16.0390  108.2677  C     
11   N        17.8053   15.3809  109.0587  N     
12   C        18.2056   13.9909  109.2469  C     
13   C        19.4907   13.9327  108.6059  C     
14   C        16.6567   15.8968  109.5649  C     
15   C        18.4130   13.6932  110.7258  C     
16   C        17.8226   12.5934  111.4041  C     
17   C        17.9686   12.4229  112.7979  C     
18   C        18.7371   13.3263  113.5460  C     
19   C        19.3767   14.3897  112.8955  C     
20   C        19.2246   14.5618  111.5052  C     
21   C        17.2619   12.9936  108.4588  C     
22   C        16.9978   13.2638  106.9351  C     
23   C        15.7275   14.1028  106.6348  C     
24   N        14.4989   13.3010  106.8791  N     
25   O        15.9921   15.0996  110.2315  O     
26   N        16.0997   17.1297  109.4675  N     
27   C        16.7707   18.2665  108.8707  C     
28   C        14.7531   17.3832  109.9886  C     
29   C        13.4176   13.8892  107.7051  C     
30   C        12.6598   15.0715  107.0523  C     
31   F        11.6147   15.4493  107.8581  F     
32   F        13.4624   16.1704  106.8703  F     
33   F        12.1441   14.6985  105.8353  F     
34   H        20.4230   17.2220  106.5216  H     
35   H        24.0338   14.0093  106.2610  H     
36   H        24.1223   16.0576  104.9923  H     
37   H        19.2321   16.8843  108.8020  H     
38   H        18.3779   16.3394  107.3070  H     
39   H        19.9808   13.0763  108.6095  H     
40   H        17.2627   11.9020  110.9083  H     
41   H        17.5020   11.6392  113.2675  H     
42   H        18.8448   13.1956  114.5581  H     
43   H        19.9523   15.0402  113.4343  H     
44   H        19.7140   15.3462  111.0741  H     
45   H        17.7017   11.9877  108.5301  H     
46   H        16.2996   12.9394  108.9726  H     
47   H        17.8592   13.7535  106.4824  H     
48   H        16.8756   12.3065  106.4190  H     
49   H        15.7640   15.0231  107.2143  H     
50   H        15.7375   14.3912  105.5790  H     
51   H        14.1055   13.0378  105.9734  H     
52   H        14.7889   12.4382  107.3400  H     
53   H        17.7017   18.4575  109.4035  H     
54   H        16.2070   19.1984  108.9136  H     
55   H        16.9721   18.0833  107.8156  H     
56   H        14.0316   16.7183  109.5042  H     
57   H        14.3825   18.4020  109.8412  H     
58   H        14.7345   17.1936  111.0665  H     
59   H        12.7004   13.0858  107.8799  H     
60   H        13.8079   14.1774  108.6829  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    3    8 1
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    9   10 1
    11    9   13 2
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 1
    16   12   15 1
    17   12   21 1
    18   14   25 2
    19   14   26 am
    20   15   16 2
    21   15   20 1
    22   16   17 1
    23   17   18 2
    24   18   19 1
    25   19   20 2
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   24   29 1
    30   26   27 1
    31   26   28 1
    32   29   30 1
    33   30   31 1
    34   30   32 1
    35   30   33 1
    36    1   34 1
    37    4   35 1
    38    5   36 1
    39   10   37 1
    40   10   38 1
    41   13   39 1
    42   16   40 1
    43   17   41 1
    44   18   42 1
    45   19   43 1
    46   20   44 1
    47   21   45 1
    48   21   46 1
    49   22   47 1
    50   22   48 1
    51   23   49 1
    52   23   50 1
    53   24   51 1
    54   24   52 1
    55   27   53 1
    56   27   54 1
    57   27   55 1
    58   28   56 1
    59   28   57 1
    60   28   58 1
    61   29   59 1
    62   29   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0892
  Crash		| -1.2692
  Polar		| 1.4647
  FragIndex	| 1
  FragRMSD	| 1.094