@<TRIPOS>MOLECULE
BindingDB_50151344
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        26.4146   43.5060   14.0414  S     
2    C        27.1705   44.1990   15.4565  C     
3    C        27.9094   44.0020   17.7883  C     
4    N        28.3926   43.9477   20.2294  N     
5    C        28.4207   45.3250   17.7560  C     
6    C        27.3118   43.4408   16.6403  C     
7    O        27.4769   42.8359   13.0582  O     
8    O        25.5083   42.2806   14.4647  O     
9    N        25.3626   44.4927   13.1702  N     
10   C        28.0234   43.1733   19.0234  C     
11   C        29.1074   45.9322   18.9356  C     
12   C        27.6637   45.5185   15.4317  C     
13   C        28.2725   46.0750   16.5694  C     
14   C        29.5111   44.8920   20.0233  C     
15   F        28.8900   46.1753   21.9895  F     
16   C        29.9310   45.5286   21.3731  C     
17   C        25.7864   45.5940   12.3793  C     
18   C        24.7515   45.8837   11.2702  C     
19   C        25.0511   47.2102   10.5207  C     
20   C        23.9056   47.6587    9.5795  C     
21   H        27.5772   44.4833   20.5358  H     
22   H        28.6471   43.2971   20.9741  H     
23   H        26.9665   42.4713   16.6704  H     
24   H        24.4184   44.4328   13.3904  H     
25   H        27.0658   42.6905   19.2390  H     
26   H        28.7697   42.3890   18.8623  H     
27   H        30.0142   46.4338   18.5914  H     
28   H        28.4401   46.6872   19.3545  H     
29   H        27.5966   46.0752   14.5824  H     
30   H        28.6218   47.0313   16.5206  H     
31   H        30.3743   44.3282   19.6523  H     
32   H        30.2867   44.7453   22.0411  H     
33   H        30.7414   46.2403   21.2147  H     
34   H        25.8646   46.4705   13.0301  H     
35   H        26.7634   45.3931   11.9261  H     
36   H        24.7601   45.0662   10.5390  H     
37   H        23.7512   45.9441   11.7037  H     
38   H        25.2170   48.0174   11.2407  H     
39   H        25.9633   47.0931    9.9268  H     
40   H        23.6301   46.8488    8.8965  H     
41   H        24.2257   48.5158    8.9790  H     
42   H        23.0259   47.9463   10.1623  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 2
     3    1    8 2
     4    1    9 1
     5    2    6 1
     6    2   12 2
     7    3    5 1
     8    3    6 2
     9    3   10 1
    10    4   10 1
    11    4   14 1
    12    5   11 1
    13    5   13 2
    14    9   17 1
    15   11   14 1
    16   12   13 1
    17   14   16 1
    18   15   16 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22    4   21 1
    23    4   22 1
    24    6   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   11   27 1
    29   11   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   16   33 1
    35   17   34 1
    36   17   35 1
    37   18   36 1
    38   18   37 1
    39   19   38 1
    40   19   39 1
    41   20   40 1
    42   20   41 1
    43   20   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5118
  Crash		| -1.1672
  Polar		| 2.5697
  FragIndex	| 1
  FragRMSD	| 0.729