@<TRIPOS>MOLECULE
BindingDB_50163105
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.2088   43.3097   13.9376  S     
2    C        27.6470   44.1223   15.4176  C     
3    C        28.2481   44.0072   17.7951  C     
4    N        29.2460   43.8778   20.0744  N     
5    C        28.4757   45.4084   17.8080  C     
6    C        27.7979   43.3848   16.6101  C     
7    O        27.5667   41.7623   13.9964  O     
8    O        25.6270   43.4266   13.8470  O     
9    N        27.8958   43.9530   12.5396  N     
10   C        28.4980   43.1782   19.0045  C     
11   C        28.9483   46.1031   19.0353  C     
12   C        27.8868   45.5092   15.4303  C     
13   C        28.3021   46.1481   16.6146  C     
14   C        28.7664   45.2562   20.3324  C     
15   F        29.0699   47.1219   21.8418  F     
16   C        29.5183   45.8559   21.5428  C     
17   C        27.3257   43.7301   11.2525  C     
18   C        27.8902   44.7461   10.2372  C     
19   H        29.1804   43.3240   20.9331  H     
20   H        30.2314   43.9293   19.8007  H     
21   H        27.6018   42.3797   16.6123  H     
22   H        28.8431   44.1596   12.5683  H     
23   H        27.5423   42.8300   19.4025  H     
24   H        29.0896   42.3039   18.7265  H     
25   H        30.0047   46.3489   18.8952  H     
26   H        28.3977   47.0384   19.1564  H     
27   H        27.7679   46.0658   14.5800  H     
28   H        28.4930   47.1514   16.5964  H     
29   H        27.7025   45.2140   20.5867  H     
30   H        29.3643   45.2229   22.4199  H     
31   H        30.5880   45.9057   21.3279  H     
32   H        27.5717   42.7201   10.9211  H     
33   H        26.2382   43.8329   11.2848  H     
34   H        27.7037   45.7695   10.5716  H     
35   H        27.4118   44.6105    9.2659  H     
36   H        28.9642   44.6066   10.1158  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    4   19 1
    21    4   20 1
    22    6   21 1
    23    9   22 1
    24   10   23 1
    25   10   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   13   28 1
    30   14   29 1
    31   16   30 1
    32   16   31 1
    33   17   32 1
    34   17   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3284
  Crash		| -2.3234
  Polar		| 3.5451
  FragIndex	| 1
  FragRMSD	| 1.078