@<TRIPOS>MOLECULE
BindingDB_50209229
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.2611   16.5618  106.1733  C     
2    C        21.0540   15.3968  106.9742  C     
3    C        22.1144   14.4404  106.9918  C     
4    C        23.2832   14.6325  106.2271  C     
5    C        23.4394   15.7790  105.4355  C     
6    C        22.4326   16.7497  105.4116  C     
7    F        22.5864   17.8202  104.6802  F     
8    F        22.0960   13.3675  107.7270  F     
9    C        19.8223   15.2455  107.6632  C     
10   C        18.8059   16.2610  107.7592  C     
11   N        17.6732   15.6983  108.4628  N     
12   C        17.9515   14.2893  108.7479  C     
13   C        19.3373   14.1735  108.2974  C     
14   C        16.6403   16.5101  108.8267  C     
15   C        18.0144   14.0003  110.2409  C     
16   C        18.9258   14.7064  111.0772  C     
17   C        19.1194   14.3498  112.4220  C     
18   C        18.3913   13.2875  112.9811  C     
19   C        17.4637   12.5908  112.1901  C     
20   C        17.2785   12.9425  110.8399  C     
21   C        17.1540   13.2586  107.8294  C     
22   C        16.9132   13.7352  106.3629  C     
23   C        16.3350   12.6741  105.4023  C     
24   N        14.9377   12.2845  105.7162  N     
25   O        16.8460   17.7148  108.6394  O     
26   N        15.4194   16.2362  109.3568  N     
27   C        14.7890   14.9523  109.2043  C     
28   C        14.6293   17.2864  109.9867  C     
29   C        14.2389   11.4418  104.7069  C     
30   C        14.3432    9.9097  104.9335  C     
31   F        14.5608    9.2521  103.7455  F     
32   F        15.3602    9.5586  105.7929  F     
33   H        20.5692   17.3130  106.1200  H     
34   H        24.0222   13.9336  106.2447  H     
35   H        24.2859   15.8984  104.8834  H     
36   H        19.2330   17.1118  108.3032  H     
37   H        18.4740   16.5727  106.7623  H     
38   H        19.8305   13.3164  108.3970  H     
39   H        19.4875   15.4683  110.6979  H     
40   H        19.8068   14.8471  112.9883  H     
41   H        18.5539   13.0099  113.9512  H     
42   H        16.9353   11.8135  112.5933  H     
43   H        16.6297   12.3733  110.2974  H     
44   H        17.6916   12.3076  107.7821  H     
45   H        16.1906   13.0140  108.2830  H     
46   H        16.2526   14.6047  106.3584  H     
47   H        17.8682   14.0565  105.9475  H     
48   H        16.3764   13.0874  104.3941  H     
49   H        16.9677   11.7932  105.4273  H     
50   H        14.9383   11.7843  106.6066  H     
51   H        14.3918   13.1456  105.8405  H     
52   H        14.8979   14.6057  108.1579  H     
53   H        13.7135   14.9751  109.4080  H     
54   H        15.2401   14.2555  109.9146  H     
55   H        15.2360   17.7708  110.7585  H     
56   H        13.7163   16.9323  110.4816  H     
57   H        14.3374   18.0247  109.2338  H     
58   H        13.1803   11.7056  104.7495  H     
59   H        14.5853   11.7053  103.7099  H     
60   H        13.4125    9.5201  105.3383  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    1   33 1
    36    4   34 1
    37    5   35 1
    38   10   36 1
    39   10   37 1
    40   13   38 1
    41   16   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
    46   21   44 1
    47   21   45 1
    48   22   46 1
    49   22   47 1
    50   23   48 1
    51   23   49 1
    52   24   50 1
    53   24   51 1
    54   27   52 1
    55   27   53 1
    56   27   54 1
    57   28   55 1
    58   28   56 1
    59   28   57 1
    60   29   58 1
    61   29   59 1
    62   30   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7236
  Crash		| -2.3678
  Polar		| 2.6605
  FragIndex	| 1
  FragRMSD	| 0.324