@<TRIPOS>MOLECULE
BindingDB_50209228
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.0709   16.0209  106.3847  C     
2    C        21.1493   15.1307  107.4949  C     
3    C        22.2869   14.2742  107.5699  C     
4    C        23.2570   14.2704  106.5427  C     
5    C        23.1252   15.1236  105.4407  C     
6    C        22.0476   16.0206  105.3756  C     
7    F        21.9273   16.8138  104.3501  F     
8    F        22.5052   13.4817  108.5892  F     
9    C        20.0898   15.0579  108.4197  C     
10   C        19.0463   16.0356  108.6406  C     
11   N        18.1076   15.4103  109.5320  N     
12   C        18.4535   13.9954  109.6734  C     
13   C        19.7748   13.9545  109.1027  C     
14   C        17.0007   15.9734  110.0817  C     
15   C        18.6426   13.5628  111.1111  C     
16   C        19.5107   14.2906  111.9824  C     
17   C        19.6587   13.9527  113.3403  C     
18   C        18.9489   12.8470  113.8583  C     
19   C        18.1137   12.0845  113.0142  C     
20   C        17.9771   12.4272  111.6544  C     
21   C        17.5696   13.1346  108.6666  C     
22   C        17.4060   13.6022  107.1974  C     
23   C        16.5185   12.6627  106.3394  C     
24   N        16.4494   13.0830  104.9220  N     
25   O        16.4070   15.2424  110.8578  O     
26   N        16.4712   17.2166  109.9519  N     
27   C        15.1182   17.4618  110.4270  C     
28   C        17.1744   18.3354  109.3675  C     
29   H        20.2830   16.6638  106.2703  H     
30   H        24.0531   13.6309  106.5838  H     
31   H        23.8035   15.0789  104.6762  H     
32   H        19.5066   16.9193  109.0844  H     
33   H        18.5396   16.2746  107.7035  H     
34   H        20.2862   13.1038  109.0451  H     
35   H        20.0504   15.0949  111.6411  H     
36   H        20.2778   14.5068  113.9480  H     
37   H        19.0589   12.5911  114.8421  H     
38   H        17.6030   11.2809  113.3994  H     
39   H        17.3874   11.8345  111.0655  H     
40   H        18.0091   12.1266  108.6057  H     
41   H        16.5600   13.0097  109.0829  H     
42   H        16.9609   14.6014  107.2203  H     
43   H        18.3729   13.6782  106.6920  H     
44   H        16.8946   11.6298  106.3721  H     
45   H        15.4973   12.6864  106.7351  H     
46   H        16.0030   14.0100  104.8684  H     
47   H        15.8817   12.4104  104.4002  H     
48   H        17.3879   13.1166  104.5110  H     
49   H        14.4193   16.8112  109.8954  H     
50   H        14.7558   18.4757  110.2653  H     
51   H        15.0421   17.2590  111.5012  H     
52   H        18.0898   18.5308  109.9331  H     
53   H        16.6087   19.2651  109.3783  H     
54   H        17.4026   18.1627  108.3161  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   26   27 1
    30   26   28 1
    31    1   29 1
    32    4   30 1
    33    5   31 1
    34   10   32 1
    35   10   33 1
    36   13   34 1
    37   16   35 1
    38   17   36 1
    39   18   37 1
    40   19   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   24   47 1
    50   24   48 1
    51   27   49 1
    52   27   50 1
    53   27   51 1
    54   28   52 1
    55   28   53 1
    56   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6280
  Crash		| -1.2278
  Polar		| 1.6482
  FragIndex	| 1
  FragRMSD	| 0.441