@<TRIPOS>MOLECULE
BindingDB_50151336
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.5300   43.3226   14.4617  S     
2    C        28.0181   44.0850   15.9519  C     
3    N        27.9205   44.1257   13.0305  N     
4    C        28.8013   43.9361   18.2776  C     
5    N        29.8156   43.8116   20.5769  N     
6    C        28.7791   45.3501   18.3850  C     
7    O        28.2134   41.8909   14.3278  O     
8    O        25.9826   42.9609   14.5073  O     
9    C        28.3954   43.3179   17.0728  C     
10   C        29.2464   43.0874   19.4144  C     
11   C        29.2207   46.0323   19.6387  C     
12   C        28.0249   45.4905   16.0517  C     
13   C        28.3996   46.1170   17.2552  C     
14   C        27.0559   44.8050   12.2237  C     
15   C        29.2210   45.1206   20.9083  C     
16   C        25.3539   46.1537   10.3998  C     
17   F        24.5663   46.7637    9.5581  F     
18   C        27.3363   44.8073   10.8404  C     
19   C        25.9122   45.5041   12.6841  C     
20   C        26.4901   45.4696    9.9325  C     
21   C        25.0686   46.1730   11.7763  C     
22   F        27.4885   45.9860   22.3655  F     
23   C        27.8370   44.9166   21.5747  C     
24   H        28.7864   43.9205   12.6517  H     
25   H        29.7242   43.2065   21.3971  H     
26   H        30.8173   43.9559   20.4178  H     
27   H        28.3903   42.2988   17.0071  H     
28   H        28.4031   42.4891   19.7582  H     
29   H        30.0246   42.4099   19.0655  H     
30   H        30.2459   46.3741   19.4596  H     
31   H        28.6003   46.9129   19.8280  H     
32   H        27.7565   46.0752   15.2565  H     
33   H        28.3984   47.1371   17.3087  H     
34   H        29.8658   45.5906   21.6525  H     
35   H        28.1580   44.3173   10.4777  H     
36   H        25.6987   45.5511   13.6795  H     
37   H        26.7001   45.4436    8.9312  H     
38   H        24.2502   46.6811   12.1250  H     
39   H        27.0649   44.7721   20.8135  H     
40   H        27.8680   44.0236   22.2088  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    7 2
     4    1    8 2
     5    2    9 1
     6    2   12 2
     7    3   14 1
     8    4    6 1
     9    4    9 2
    10    4   10 1
    11    5   10 1
    12    5   15 1
    13    6   11 1
    14    6   13 2
    15   11   15 1
    16   12   13 1
    17   14   18 1
    18   14   19 2
    19   15   23 1
    20   16   17 1
    21   16   20 1
    22   16   21 2
    23   18   20 2
    24   19   21 1
    25   22   23 1
    26    3   24 1
    27    5   25 1
    28    5   26 1
    29    9   27 1
    30   10   28 1
    31   10   29 1
    32   11   30 1
    33   11   31 1
    34   12   32 1
    35   13   33 1
    36   15   34 1
    37   18   35 1
    38   19   36 1
    39   20   37 1
    40   21   38 1
    41   23   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7361
  Crash		| -1.2418
  Polar		| 3.2427
  FragIndex	| 1
  FragRMSD	| 0.517