@<TRIPOS>MOLECULE
BindingDB_13454
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.9725   14.0863   15.9817  C     
2    C        43.3615   15.0332   15.1465  C     
3    C        42.2553   14.6644   14.3513  C     
4    C        41.7402   13.3559   14.4325  C     
5    N        41.6313   15.5932   13.6012  N     
6    O        42.4072   14.4260   11.1495  O     
7    S        42.1179   15.8571   12.0077  S     
8    O        40.9588   16.7944   11.2117  O     
9    O        43.5447   16.7568   12.0834  O     
10   C        42.3147   12.4078   15.3053  C     
11   C        43.4593   12.7674   16.0568  C     
12   C        41.6978   11.0663   15.4621  C     
13   C        44.0618   11.7244   16.9136  C     
14   C        42.9599   10.9000   17.6420  C     
15   N        42.0071   10.3252   16.6797  N     
16   C        42.3317   11.6656   18.7278  C     
17   O        42.9679   11.8161   19.7682  O     
18   N        41.1101   12.1739   18.6264  N     
19   C        40.4118   12.8733   19.6584  C     
20   C        41.3535    9.1780   16.9732  C     
21   O        41.5202    8.6418   18.0704  O     
22   C        40.3523    8.4852   16.1547  C     
23   C        40.8376    7.1246   15.5822  C     
24   C        39.8131    6.5069   14.6986  C     
25   C        38.9151    6.1077   12.4537  C     
26   C        39.9024    6.6505   13.2962  C     
27   C        38.7041    5.8168   15.2340  C     
28   C        37.7139    5.2803   14.3924  C     
29   C        37.8006    5.4127   12.9863  C     
30   C        36.7677    4.8421   12.0725  C     
31   F        35.7424    4.1799   12.7064  F     
32   F        36.1868    5.8407   11.3298  F     
33   F        37.3374    3.9359   11.2119  F     
34   H        44.7797   14.3639   16.5505  H     
35   H        43.7313   15.9918   15.1100  H     
36   H        40.9143   13.1150   13.8844  H     
37   H        41.2758   16.3650   14.0776  H     
38   H        40.6144   11.2094   15.4226  H     
39   H        42.0023   10.4783   14.5945  H     
40   H        44.6222   11.0461   16.2632  H     
41   H        44.7751   12.1464   17.6332  H     
42   H        43.5074   10.0797   18.1266  H     
43   H        40.6314   12.0471   17.7953  H     
44   H        40.2565   12.2238   20.5243  H     
45   H        39.4376   13.1829   19.2773  H     
46   H        40.9650   13.7635   19.9679  H     
47   H        39.4670    8.3185   16.7804  H     
48   H        40.0241    9.0962   15.2955  H     
49   H        41.7690    7.2777   15.0299  H     
50   H        41.0667    6.4456   16.4147  H     
51   H        39.0145    6.2220   11.4435  H     
52   H        40.6896    7.1562   12.8778  H     
53   H        38.5997    5.7124   16.2437  H     
54   H        36.9259    4.7918   14.8213  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 1
    25   23   24 1
    26   24   26 2
    27   24   27 1
    28   25   26 1
    29   25   29 2
    30   27   28 2
    31   28   29 1
    32   29   30 1
    33   30   31 1
    34   30   32 1
    35   30   33 1
    36    1   34 1
    37    2   35 1
    38    4   36 1
    39    5   37 1
    40   12   38 1
    41   12   39 1
    42   13   40 1
    43   13   41 1
    44   14   42 1
    45   18   43 1
    46   19   44 1
    47   19   45 1
    48   19   46 1
    49   22   47 1
    50   22   48 1
    51   23   49 1
    52   23   50 1
    53   25   51 1
    54   26   52 1
    55   27   53 1
    56   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7826
  Crash		| -1.1003
  Polar		| 5.7978
  FragIndex	| 1
  FragRMSD	| 0.398