@<TRIPOS>MOLECULE
BindingDB_50061310
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.4156   43.1891   14.2784  S     
2    C        27.8495   43.9849   15.7646  C     
3    N        27.7933   44.0095   12.8535  N     
4    O        28.1739   41.7927   14.2025  O     
5    O        25.8912   42.7296   14.2921  O     
6    C        28.0005   43.2367   16.9496  C     
7    C        28.4111   43.8595   18.1503  C     
8    N        28.7046   43.8411   20.6214  N     
9    C        28.6966   45.2493   18.1613  C     
10   C        28.0765   45.3734   15.7952  C     
11   C        28.4980   45.9997   16.9810  C     
12   C        26.9523   44.7954   12.1236  C     
13   C        25.2699   46.3634   10.4461  C     
14   C        28.5733   43.0407   19.3831  C     
15   Cl       24.2714   47.2956    9.4433  Cl    
16   C        27.1537   44.8276   10.7252  C     
17   C        25.8961   45.5707   12.6741  C     
18   C        25.0716   46.3507   11.8395  C     
19   C        26.3158   45.5947    9.8935  C     
20   C        29.6544   44.9578   20.5073  C     
21   C        29.2086   45.9265   19.3823  C     
22   H        28.6910   43.8726   12.5005  H     
23   H        27.8328   42.2259   16.9408  H     
24   H        27.7870   44.2289   20.8552  H     
25   H        28.9966   43.2164   21.3758  H     
26   H        27.9625   45.9364   14.9509  H     
27   H        28.6772   47.0058   16.9700  H     
28   H        27.7073   42.3867   19.5153  H     
29   H        29.4605   42.4044   19.2710  H     
30   H        27.9082   44.2772   10.2972  H     
31   H        25.7277   45.5933   13.6847  H     
32   H        24.3274   46.9149   12.2571  H     
33   H        26.4580   45.5695    8.8823  H     
34   H        29.7017   45.4927   21.4608  H     
35   H        30.6543   44.5702   20.2925  H     
36   H        30.0709   46.5441   19.1127  H     
37   H        28.4292   46.5920   19.7633  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 2
     4    1    5 2
     5    2    6 1
     6    2   10 2
     7    3   12 1
     8    6    7 2
     9    7    9 1
    10    7   14 1
    11    8   14 1
    12    8   20 1
    13    9   11 2
    14    9   21 1
    15   10   11 1
    16   12   16 1
    17   12   17 2
    18   13   15 1
    19   13   18 2
    20   13   19 1
    21   16   19 2
    22   17   18 1
    23   20   21 1
    24    3   22 1
    25    6   23 1
    26    8   24 1
    27    8   25 1
    28   10   26 1
    29   11   27 1
    30   14   28 1
    31   14   29 1
    32   16   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   20   34 1
    37   20   35 1
    38   21   36 1
    39   21   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2528
  Crash		| -0.7974
  Polar		| 3.1812
  FragIndex	| 1
  FragRMSD	| 0.269