@<TRIPOS>MOLECULE
BindingDB_31878
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.6623   30.4815   -7.8019  C     
2    C        -5.7905   30.4211   -9.2092  C     
3    C        -4.9166   31.2005   -9.9897  C     
4    C        -3.8613   32.0459   -8.0260  C     
5    N        -4.6921   31.2908   -7.2623  N     
6    N        -3.9910   31.9834   -9.3787  N     
7    N        -6.5341   29.7902   -7.0253  N     
8    C        -6.5535   29.7306   -5.6659  C     
9    C        -7.8742   29.8019   -3.6038  C     
10   C        -7.7929   29.8694   -5.0080  C     
11   C        -5.4085   29.4895   -4.8777  C     
12   C        -5.4888   29.4493   -3.4727  C     
13   C        -6.7274   29.5845   -2.7914  C     
14   N        -2.9259   32.8845   -7.5229  N     
15   C        -2.5495   33.1267   -6.2271  C     
16   C        -2.3971   32.5268   -3.8442  C     
17   C        -2.8855   32.2762   -5.1461  C     
18   C        -1.7250   34.2420   -5.9667  C     
19   C        -1.2552   34.5165   -4.6691  C     
20   C        -1.5811   33.6510   -3.6087  C     
21   O        -1.1063   33.8933   -2.3640  O     
22   F        -6.6893   29.6703   -9.7991  F     
23   C        -6.8410   29.4965   -1.3897  C     
24   O        -7.9651   29.4373   -0.9047  O     
25   N        -5.7833   29.3970   -0.5795  N     
26   C        -5.7382   29.3250    0.7942  C     
27   C        -4.4751   28.6153    2.7776  C     
28   C        -4.6023   28.7227    1.3803  C     
29   C        -6.7239   29.8634    1.6617  C     
30   C        -5.4776   29.1300    3.6177  C     
31   C        -6.6105   29.7679    3.0673  C     
32   C        -7.6664   30.3448    3.9298  C     
33   H        -4.9792   31.1923  -11.0145  H     
34   H        -7.2853   29.3723   -7.4813  H     
35   H        -8.8003   29.9224   -3.1783  H     
36   H        -8.6481   30.0285   -5.5463  H     
37   H        -4.5059   29.3226   -5.3294  H     
38   H        -4.6184   29.3092   -2.9533  H     
39   H        -2.4551   33.4172   -8.1927  H     
40   H        -2.6214   31.8828   -3.0817  H     
41   H        -3.4585   31.4487   -5.3079  H     
42   H        -1.4511   34.8660   -6.7308  H     
43   H        -0.6669   35.3364   -4.5025  H     
44   H        -1.7519   34.5211   -1.9744  H     
45   H        -4.9234   29.3179   -1.0206  H     
46   H        -3.6509   28.1635    3.1838  H     
47   H        -3.8546   28.3463    0.7921  H     
48   H        -7.5246   30.3631    1.2724  H     
49   H        -5.3674   29.0445    4.6312  H     
50   H        -7.7521   31.4150    3.7356  H     
51   H        -7.4539   30.2067    4.9913  H     
52   H        -8.6219   29.8668    3.7082  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   30 2
    33   29   31 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
    54   32   51 1
    55   32   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2924
  Crash		| -1.0126
  Polar		| 2.7619
  FragIndex	| 1
  FragRMSD	| 0.876