@<TRIPOS>MOLECULE
BindingDB_15319
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.2140    0.9134   10.1301  C     
2    C        61.1428   -0.2888    9.3850  C     
3    C        59.9780   -1.0778    9.3772  C     
4    C        58.8141   -0.7251   10.1034  C     
5    C        58.9063    0.4834   10.8599  C     
6    C        60.0449    1.3298   10.8273  C     
7    C        57.6395   -1.5163   10.0625  C     
8    C        56.5870   -1.5414   11.1179  C     
9    C        55.8451   -2.9257   11.1208  C     
10   C        55.5361   -3.3304    9.7585  C     
11   N        57.3833   -2.2056    8.9958  N     
12   N        56.3985   -3.0034    8.8091  N     
13   C        55.5448   -0.3993   10.9049  C     
14   O        54.5979   -4.0665    9.4906  O     
15   N        62.3824    1.6081   10.0178  N     
16   C        62.8971    2.7015   10.6240  C     
17   C        63.8235    5.1170   11.8995  C     
18   C        64.1837    4.7206   10.5489  C     
19   C        63.7887    3.5161    9.9712  C     
20   C        62.7305    2.8146   12.0866  C     
21   C        63.6105    3.8975   12.8073  C     
22   C        64.3222    3.1689    8.6291  C     
23   C        64.7422    1.7553    8.4428  C     
24   C        65.6287   -0.3626    9.3058  C     
25   C        65.4954   -0.9417    8.0306  C     
26   C        64.9998   -0.1784    6.9560  C     
27   C        64.6168    1.1563    7.1650  C     
28   C        65.2743    0.9821    9.5060  C     
29   O        64.5643    5.6503    9.8397  O     
30   F        59.8769    2.5385   11.2910  F     
31   H        61.9449   -0.5931    8.8341  H     
32   H        59.9967   -1.9296    8.8111  H     
33   H        58.1169    0.8018   11.4199  H     
34   H        57.0335   -1.4275   12.1138  H     
35   H        56.5078   -3.6879   11.5472  H     
36   H        54.9378   -2.9029   11.7326  H     
37   H        56.2971   -3.3931    7.9341  H     
38   H        55.9585    0.5986   11.0832  H     
39   H        54.7237   -0.5355   11.6007  H     
40   H        55.1417   -0.4141    9.8881  H     
41   H        62.9398    1.2521    9.3169  H     
42   H        64.6252    5.7132   12.3324  H     
43   H        62.9126    5.7213   11.8653  H     
44   H        61.7006    2.9723   12.3615  H     
45   H        63.0273    1.8688   12.5227  H     
46   H        64.5784    3.4551   13.0591  H     
47   H        63.1291    4.2094   13.7375  H     
48   H        63.5578    3.4524    7.9004  H     
49   H        65.2160    3.7376    8.3560  H     
50   H        66.0002   -0.9251   10.0770  H     
51   H        65.7791   -1.9139    7.8693  H     
52   H        64.9229   -0.5913    6.0257  H     
53   H        64.2530    1.6978    6.3766  H     
54   H        65.3815    1.3810   10.4398  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    6   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    5   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	| 6.2139
  Crash		| -2.4479
  Polar		| 2.4626
  FragIndex	| 1
  FragRMSD	| 1.350