@<TRIPOS>MOLECULE
BindingDB_16122
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        33.4429   13.8424   63.2481  C     
2    C        32.4618   11.2506   62.4028  C     
3    C        32.7525   11.5364   63.7592  C     
4    C        33.2300   12.7967   64.1727  C     
5    C        33.1163   13.5805   61.9011  C     
6    C        32.6136   12.3309   61.4966  C     
7    C        32.0726    9.9313   61.9581  C     
8    C        31.3711    7.2918   61.1084  C     
9    C        31.1652    7.6743   62.4479  C     
10   C        31.5182    8.9748   62.8568  C     
11   C        32.2723    9.5010   60.6205  C     
12   C        31.9521    8.1959   60.2090  C     
13   F        33.4472   12.9830   65.4467  F     
14   O        30.5796    6.8260   63.3518  O     
15   C        31.4981    6.2351   64.2872  C     
16   N        33.9624   15.0285   63.7245  N     
17   C        34.7733   15.9161   63.1497  C     
18   O        35.2338   15.6844   62.0404  O     
19   C        34.9652   17.2190   63.6376  C     
20   C        35.1180   19.5735   63.3460  C     
21   C        34.5673   17.6441   64.9314  C     
22   S        34.5626   19.3646   64.9479  S     
23   C        34.2412   16.9477   66.1095  C     
24   O        35.1540   16.1213   66.6638  O     
25   O        33.3468   17.4817   66.9685  O     
26   C        35.3514   18.3100   62.7932  C     
27   C        36.0204   18.2196   61.5466  C     
28   O        36.0764   19.2676   60.6945  O     
29   O        36.8023   17.1585   61.2506  O     
30   H        32.6215   10.8215   64.4766  H     
31   H        33.2710   14.2821   61.1843  H     
32   H        32.4302   12.2066   60.5017  H     
33   H        31.1017    6.3568   60.7913  H     
34   H        31.3891    9.1993   63.8446  H     
35   H        32.6423   10.1352   59.9092  H     
36   H        32.1259    7.9095   59.2465  H     
37   H        32.1253    5.4876   63.7898  H     
38   H        30.9195    5.7272   65.0548  H     
39   H        32.1375    6.9816   64.7698  H     
40   H        33.6677   15.2614   64.6106  H     
41   H        35.3055   20.4791   62.9142  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   16 1
     4    2    3 1
     5    2    6 2
     6    2    7 1
     7    3    4 2
     8    4   13 1
     9    5    6 1
    10    7   10 1
    11    7   11 2
    12    8    9 1
    13    8   12 2
    14    9   10 2
    15    9   14 1
    16   11   12 1
    17   14   15 1
    18   16   17 am
    19   17   18 2
    20   17   19 1
    21   19   21 2
    22   19   26 1
    23   20   22 1
    24   20   26 2
    25   21   22 1
    26   21   23 1
    27   23   24 2
    28   23   25 1
    29   26   27 1
    30   27   28 2
    31   27   29 1
    32    3   30 1
    33    5   31 1
    34    6   32 1
    35    8   33 1
    36   10   34 1
    37   11   35 1
    38   12   36 1
    39   15   37 1
    40   15   38 1
    41   15   39 1
    42   16   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2903
  Crash		| -2.9546
  Polar		| 4.6518
  FragIndex	| 1
  FragRMSD	| 1.358