@<TRIPOS>MOLECULE
BindingDB_16113
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.7179   16.9671   63.4392  C     
2    C        34.5019   17.4556   64.7511  C     
3    C        35.0978   19.2922   63.0627  C     
4    C        35.0570   18.0038   62.5329  C     
5    C        34.2332   16.7859   65.9583  C     
6    O        35.0250   15.7664   66.3467  O     
7    O        33.5030   17.3989   66.9199  O     
8    C        34.5404   15.6519   62.9918  C     
9    O        35.1885   15.2602   62.0242  O     
10   N        33.6757   14.8234   63.5727  N     
11   C        33.2949   13.5783   63.1517  C     
12   C        32.4565   10.9480   62.3942  C     
13   C        32.9333   11.2168   63.7023  C     
14   C        33.3300   12.5129   64.0780  C     
15   C        32.8033   13.3251   61.8547  C     
16   C        32.3914   12.0320   61.4808  C     
17   C        32.0715    9.6273   62.0013  C     
18   C        31.3191    6.9949   61.2362  C     
19   C        31.9205    7.8529   60.3029  C     
20   C        32.2972    9.1545   60.6841  C     
21   C        31.4532    8.7464   62.9226  C     
22   C        31.0799    7.4434   62.5445  C     
23   S        34.7106   19.1644   64.7238  S     
24   H        35.3073   20.1525   62.5583  H     
25   H        35.2284   17.8468   61.5383  H     
26   H        33.2911   15.1166   64.4040  H     
27   H        33.0112   10.4630   64.3965  H     
28   H        33.6710   12.6700   65.0336  H     
29   H        32.7106   14.0903   61.1761  H     
30   H        32.0159   11.8936   60.5382  H     
31   H        31.0492    6.0488   60.9594  H     
32   H        32.0842    7.5271   59.3485  H     
33   H        32.7509    9.7490   59.9895  H     
34   H        31.2515    9.0522   63.8775  H     
35   H        30.6297    6.8254   63.2208  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    8 1
     4    2    5 1
     5    2   23 1
     6    3    4 2
     7    3   23 1
     8    5    6 2
     9    5    7 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   14 1
    14   11   15 2
    15   12   13 1
    16   12   16 2
    17   12   17 1
    18   13   14 2
    19   15   16 1
    20   17   20 1
    21   17   21 2
    22   18   19 1
    23   18   22 2
    24   19   20 2
    25   21   22 1
    26    3   24 1
    27    4   25 1
    28   10   26 1
    29   13   27 1
    30   14   28 1
    31   15   29 1
    32   16   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.2303
  Crash		| -0.5527
  Polar		| 4.6030
  FragIndex	| 1
  FragRMSD	| 0.126