@<TRIPOS>MOLECULE
BindingDB_50228011
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5999   -9.2357  -10.8246  C     
2    C        18.2063   -8.1352  -11.6231  C     
3    C        18.2700   -6.8380  -11.0523  C     
4    C        18.7287   -6.6446   -9.7290  C     
5    C        19.1371   -7.7587   -8.9700  C     
6    C        19.0661   -9.0496   -9.5129  C     
7    C        17.7477   -8.3850  -13.0221  C     
8    F        17.4435   -7.2508  -13.7358  F     
9    F        18.7246   -9.0422  -13.7342  F     
10   F        16.6217   -9.1739  -13.0168  F     
11   S        18.8003   -5.0632   -8.9936  S     
12   N        18.1742   -5.1563   -7.4312  N     
13   O        20.3494   -4.7080   -8.9152  O     
14   O        18.0377   -3.9467   -9.8320  O     
15   C        18.5851   -4.3409   -6.3240  C     
16   C        17.3895   -3.4037   -5.9198  C     
17   C        17.1759   -3.1737   -4.4591  C     
18   C        19.1541   -5.1591   -5.2589  C     
19   N        18.9310   -6.4454   -5.1138  N     
20   O        19.8776   -4.6309   -4.4245  O     
21   C        17.5933   -1.9837   -3.8184  C     
22   C        17.3930   -1.8012   -2.4342  C     
23   C        16.7560   -2.7968   -1.6581  C     
24   C        16.3210   -3.9715   -2.3103  C     
25   C        16.5348   -4.1641   -3.6839  C     
26   C        16.4949   -2.6305   -0.1993  C     
27   C        17.7036   -2.2852    0.7092  C     
28   C        17.1585   -1.5844    1.8516  C     
29   N        15.9390   -1.1126    1.7216  N     
30   S        15.2583   -1.3881    0.2155  S     
31   O        17.7820   -1.4274    2.8913  O     
32   O        15.3528   -0.0556   -0.6555  O     
33   O        13.8572   -2.1400    0.3191  O     
34   H        18.5612  -10.1883  -11.2024  H     
35   H        17.9791   -6.0268  -11.6009  H     
36   H        19.4828   -7.6406   -8.0154  H     
37   H        19.3610   -9.8560   -8.9540  H     
38   H        17.5194   -5.8484   -7.2591  H     
39   H        19.3962   -3.6871   -6.6670  H     
40   H        17.5328   -2.4321   -6.4212  H     
41   H        16.4501   -3.8046   -6.3219  H     
42   H        19.3412   -6.9263   -4.3742  H     
43   H        18.3564   -6.9250   -5.7302  H     
44   H        18.0641   -1.2453   -4.3545  H     
45   H        17.7210   -0.9349   -1.9989  H     
46   H        15.8318   -4.7042   -1.7912  H     
47   H        16.2140   -5.0360   -4.1187  H     
48   H        16.0775   -3.5626    0.1993  H     
49   H        18.2092   -3.2039    1.0209  H     
50   H        18.4297   -1.6320    0.2175  H     
51   H        15.4655   -0.6651    2.4404  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    7 1
     5    3    4 2
     6    4    5 1
     7    4   11 1
     8    5    6 2
     9    7    8 1
    10    7    9 1
    11    7   10 1
    12   11   12 1
    13   11   13 2
    14   11   14 2
    15   12   15 1
    16   15   16 1
    17   15   18 1
    18   16   17 1
    19   17   21 2
    20   17   25 1
    21   18   19 am
    22   18   20 2
    23   21   22 1
    24   22   23 2
    25   23   24 1
    26   23   26 1
    27   24   25 2
    28   26   27 1
    29   26   30 1
    30   27   28 1
    31   28   29 1
    32   28   31 2
    33   29   30 1
    34   30   32 2
    35   30   33 2
    36    1   34 1
    37    3   35 1
    38    5   36 1
    39    6   37 1
    40   12   38 1
    41   15   39 1
    42   16   40 1
    43   16   41 1
    44   19   42 1
    45   19   43 1
    46   21   44 1
    47   22   45 1
    48   24   46 1
    49   25   47 1
    50   26   48 1
    51   27   49 1
    52   27   50 1
    53   29   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6301
  Crash		| -2.1288
  Polar		| 5.6325
  FragIndex	| 1
  FragRMSD	| 0.668