@<TRIPOS>MOLECULE
BindingDB_50209227
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.1343   16.5183  106.4596  C     
2    C        21.0332   15.3356  107.2419  C     
3    C        22.1253   14.4225  107.1592  C     
4    C        23.2188   14.6603  106.3089  C     
5    C        23.2808   15.8347  105.5396  C     
6    C        22.2386   16.7739  105.6273  C     
7    F        22.3092   17.8748  104.9389  F     
8    F        22.2219   13.3270  107.8712  F     
9    C        19.8632   15.1129  108.0227  C     
10   C        18.8086   16.0808  108.2754  C     
11   N        17.7973   15.4233  109.0648  N     
12   C        18.1944   14.0264  109.2465  C     
13   C        19.4794   13.9657  108.5912  C     
14   C        16.6583   15.9633  109.5661  C     
15   C        18.4132   13.7256  110.7279  C     
16   C        19.2493   14.5843  111.5004  C     
17   C        19.4471   14.3820  112.8738  C     
18   C        18.8229   13.3038  113.5242  C     
19   C        17.9921   12.4424  112.7943  C     
20   C        17.8014   12.6390  111.4130  C     
21   C        17.2475   13.0275  108.4769  C     
22   C        16.9834   13.3037  106.9503  C     
23   C        15.6846   14.0681  106.6302  C     
24   N        14.5077   13.1763  106.7856  N     
25   O        15.9388   15.1463  110.1443  O     
26   N        16.2029   17.2406  109.5993  N     
27   C        14.8993   17.5461  110.1907  C     
28   C        16.9540   18.3698  109.0968  C     
29   C        13.2620   13.7943  107.2999  C     
30   C        13.4897   14.6055  108.6018  C     
31   H        20.3969   17.2303  106.4680  H     
32   H        23.9877   13.9937  106.2505  H     
33   H        24.0870   16.0035  104.9440  H     
34   H        19.2433   16.9154  108.8205  H     
35   H        18.3755   16.4046  107.3262  H     
36   H        19.9885   13.1200  108.5228  H     
37   H        19.7125   15.3822  111.0655  H     
38   H        20.0547   15.0091  113.4059  H     
39   H        18.9500   13.1650  114.5307  H     
40   H        17.5223   11.6655  113.2684  H     
41   H        17.1944   11.9808  110.9307  H     
42   H        17.6738   12.0214  108.5480  H     
43   H        16.2816   12.9763  108.9854  H     
44   H        17.8125   13.8543  106.5129  H     
45   H        16.9327   12.3458  106.4172  H     
46   H        15.6161   14.9663  107.2617  H     
47   H        15.6961   14.4132  105.5857  H     
48   H        14.2860   12.7717  105.8625  H     
49   H        14.7547   12.3936  107.3985  H     
50   H        14.1072   17.0726  109.6134  H     
51   H        14.6501   18.6050  110.2412  H     
52   H        14.8488   17.1737  111.2152  H     
53   H        17.8834   18.4691  109.6563  H     
54   H        16.4508   19.3339  109.1873  H     
55   H        17.1664   18.2457  108.0356  H     
56   H        12.8150   14.4388  106.5295  H     
57   H        12.5569   12.9957  107.5361  H     
58   H        13.9023   13.9528  109.3744  H     
59   H        12.5400   15.0214  108.9656  H     
60   H        14.1899   15.4236  108.4157  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    1   31 1
    34    4   32 1
    35    5   33 1
    36   10   34 1
    37   10   35 1
    38   13   36 1
    39   16   37 1
    40   17   38 1
    41   18   39 1
    42   19   40 1
    43   20   41 1
    44   21   42 1
    45   21   43 1
    46   22   44 1
    47   22   45 1
    48   23   46 1
    49   23   47 1
    50   24   48 1
    51   24   49 1
    52   27   50 1
    53   27   51 1
    54   27   52 1
    55   28   53 1
    56   28   54 1
    57   28   55 1
    58   29   56 1
    59   29   57 1
    60   30   58 1
    61   30   59 1
    62   30   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1993
  Crash		| -1.7527
  Polar		| 1.4306
  FragIndex	| 1
  FragRMSD	| 1.123