@<TRIPOS>MOLECULE
BindingDB_15318
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.0289    0.8270   10.5398  C     
2    C        59.8877    1.1119   11.3217  C     
3    C        58.7057    0.3515   11.1454  C     
4    C        58.6217   -0.7124   10.1980  C     
5    C        59.8093   -1.0138    9.4622  C     
6    C        60.9833   -0.2635    9.6438  C     
7    C        57.4334   -1.4515   10.0009  C     
8    C        56.4228   -1.6588   11.0589  C     
9    C        55.8309   -3.0975   10.9353  C     
10   C        55.4589   -3.3442    9.5507  C     
11   N        57.1604   -1.9852    8.8486  N     
12   N        56.1834   -2.7819    8.5920  N     
13   C        55.3024   -0.5882   10.9335  C     
14   O        54.4983   -4.0428    9.2613  O     
15   N        62.2016    1.5091   10.5775  N     
16   C        62.5286    2.7062   11.0972  C     
17   C        63.2778    5.3454   12.0203  C     
18   C        64.1664    4.1953   11.9542  C     
19   C        63.8441    3.0136   11.3102  C     
20   C        61.4711    3.7321   11.2390  C     
21   C        62.0436    5.1825   11.0990  C     
22   C        64.9531    2.0924   10.9441  C     
23   C        64.9573    1.5403    9.5554  C     
24   C        65.3345   -0.3506    8.0275  C     
25   C        64.8635    0.4180    6.9502  C     
26   C        64.4634    1.7508    7.1599  C     
27   C        64.5307    2.3148    8.4491  C     
28   C        65.3885    0.2102    9.3171  C     
29   O        65.1284    4.2345   12.7144  O     
30   F        59.8869   -2.0102    8.6069  F     
31   H        59.9537    1.8686   12.0287  H     
32   H        57.8808    0.5894   11.7102  H     
33   H        61.8167   -0.4978    9.0811  H     
34   H        56.8716   -1.5776   12.0559  H     
35   H        56.6046   -3.8169   11.2182  H     
36   H        54.9817   -3.2316   11.6114  H     
37   H        55.9822   -2.9906    7.6672  H     
38   H        55.7348    0.4164   11.0093  H     
39   H        54.5745   -0.7366   11.7361  H     
40   H        54.7712   -0.6671    9.9758  H     
41   H        62.9238    1.0484   10.1312  H     
42   H        62.9410    5.4645   13.0541  H     
43   H        63.8258    6.2480   11.7325  H     
44   H        60.6852    3.5922   10.4987  H     
45   H        60.9790    3.6402   12.1995  H     
46   H        61.2829    5.9256   11.3673  H     
47   H        62.3497    5.3516   10.0589  H     
48   H        65.9302    2.5745   11.0542  H     
49   H        64.9256    1.2770   11.6735  H     
50   H        65.6190   -1.3227    7.8782  H     
51   H        64.8036    0.0054    6.0190  H     
52   H        64.1085    2.3054    6.3762  H     
53   H        64.2344    3.2846    8.5819  H     
54   H        65.7372   -0.3663   10.0867  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    5   30 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    8   13 1
    14    9   10 1
    15   10   12 1
    16   10   14 2
    17   11   12 1
    18   15   16 1
    19   16   19 2
    20   16   20 1
    21   17   18 1
    22   17   21 1
    23   18   19 1
    24   18   29 2
    25   19   22 1
    26   20   21 1
    27   22   23 1
    28   23   27 2
    29   23   28 1
    30   24   25 1
    31   24   28 2
    32   25   26 2
    33   26   27 1
    34    2   31 1
    35    3   32 1
    36    6   33 1
    37    8   34 1
    38    9   35 1
    39    9   36 1
    40   12   37 1
    41   13   38 1
    42   13   39 1
    43   13   40 1
    44   15   41 1
    45   17   42 1
    46   17   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   21   47 1
    51   22   48 1
    52   22   49 1
    53   24   50 1
    54   25   51 1
    55   26   52 1
    56   27   53 1
    57   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8535
  Crash		| -2.0611
  Polar		| 2.2765
  FragIndex	| 1
  FragRMSD	| 0.905