@<TRIPOS>MOLECULE
BindingDB_31841
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.3450   30.7511   -7.1186  C     
2    C        -5.5695   30.4979   -8.4951  C     
3    C        -4.7961   31.2178   -9.4339  C     
4    C        -3.6248   32.3208   -7.6906  C     
5    N        -4.3913   31.6537   -6.8019  N     
6    N        -3.8550   32.1050   -9.0115  N     
7    N        -5.9571   30.2833   -6.0102  N     
8    C        -7.0188   29.4650   -5.8992  C     
9    C        -9.2369   29.0776   -4.9400  C     
10   C        -8.0797   29.8698   -5.0640  C     
11   C        -7.0843   28.2125   -6.5328  C     
12   C        -8.2445   27.4115   -6.3973  C     
13   C        -9.3693   27.8493   -5.6459  C     
14   N        -2.6531   33.1799   -7.2926  N     
15   C        -2.1969   33.4598   -6.0210  C     
16   C        -1.9433   33.0338   -3.6015  C     
17   C        -2.5008   32.7125   -4.8530  C     
18   C        -1.2900   34.5419   -5.8782  C     
19   C        -0.7252   34.8680   -4.6277  C     
20   C        -1.0488   34.1118   -3.4841  C     
21   O        -0.4462   34.3430   -2.2893  O     
22   F        -6.4602   29.6340   -8.9148  F     
23   C       -10.5625   27.1089   -5.6437  C     
24   O       -10.6143   26.0687   -6.2935  O     
25   N       -11.6529   27.5177   -4.9885  N     
26   C       -12.8973   26.9457   -4.9734  C     
27   C       -14.8060   26.1778   -3.6488  C     
28   C       -13.5548   26.8113   -3.7311  C     
29   C       -13.5616   26.5049   -6.1473  C     
30   C       -14.8217   25.8900   -6.0669  C     
31   C       -15.4395   25.7054   -4.8142  C     
32   O       -16.6514   25.1053   -4.7099  O     
33   H        -4.9299   31.0905  -10.4379  H     
34   H        -5.6803   30.6983   -5.1784  H     
35   H        -9.9851   29.4334   -4.3459  H     
36   H        -8.0296   30.7676   -4.5734  H     
37   H        -6.2906   27.8375   -7.0299  H     
38   H        -8.2610   26.5136   -6.8857  H     
39   H        -2.2209   33.6818   -8.0013  H     
40   H        -2.1616   32.4560   -2.7845  H     
41   H        -3.0851   31.8816   -4.8926  H     
42   H        -1.0233   35.1008   -6.6986  H     
43   H        -0.0611   35.6441   -4.5555  H     
44   H        -0.5236   35.3081   -2.1272  H     
45   H       -11.5347   28.2739   -4.3896  H     
46   H       -15.2536   26.0551   -2.7407  H     
47   H       -13.1096   27.1493   -2.8697  H     
48   H       -13.1326   26.6303   -7.0642  H     
49   H       -15.2780   25.5591   -6.9217  H     
50   H       -16.7736   24.5636   -5.5249  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2   22 1
     6    3    6 2
     7    4    5 2
     8    4    6 1
     9    4   14 1
    10    7    8 1
    11    8   10 2
    12    8   11 1
    13    9   10 1
    14    9   13 2
    15   11   12 2
    16   12   13 1
    17   13   23 1
    18   14   15 1
    19   15   17 2
    20   15   18 1
    21   16   17 1
    22   16   20 2
    23   18   19 2
    24   19   20 1
    25   20   21 1
    26   23   24 2
    27   23   25 am
    28   25   26 1
    29   26   28 2
    30   26   29 1
    31   27   28 1
    32   27   31 2
    33   29   30 2
    34   30   31 1
    35   31   32 1
    36    3   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   11   37 1
    41   12   38 1
    42   14   39 1
    43   16   40 1
    44   17   41 1
    45   18   42 1
    46   19   43 1
    47   21   44 1
    48   25   45 1
    49   27   46 1
    50   28   47 1
    51   29   48 1
    52   30   49 1
    53   32   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2367
  Crash		| -4.1750
  Polar		| 4.7743
  FragIndex	| 1
  FragRMSD	| 1.438