@<TRIPOS>MOLECULE
BindingDB_50216502
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.3598   13.8614  114.0991  C     
2    C        19.2372   14.2125  112.7432  C     
3    C        18.3125   13.5523  111.8922  C     
4    C        17.4957   12.5442  112.4677  C     
5    C        17.5816   12.2208  113.8371  C     
6    C        18.5289   12.8704  114.6463  C     
7    C        18.1166   13.9079  110.4433  C     
8    N        16.7438   14.1867  110.2762  N     
9    C        16.3004   15.3421  109.8975  C     
10   N        17.1278   16.3104  109.6549  N     
11   C        18.4347   16.1677  109.5817  C     
12   C        19.0100   14.9673  109.8849  C     
13   S        14.6439   15.5503  109.5728  S     
14   C        20.3632   14.6475  109.6693  C     
15   O        21.0407   13.8888  110.5671  O     
16   O        21.0173   14.9746  108.5225  O     
17   O        16.7464   11.3118  114.4010  O     
18   C        19.1617   17.3726  109.1976  C     
19   C        22.3501   14.6052  108.1421  C     
20   C        22.9061   15.6234  107.1285  C     
21   H        20.0356   14.3466  114.6941  H     
22   H        19.8245   14.9704  112.3928  H     
23   H        16.8051   12.0561  111.8904  H     
24   H        18.6021   12.6393  115.6389  H     
25   H        18.2953   13.0061  109.8472  H     
26   H        16.1221   13.5158  110.4767  H     
27   H        16.7627   17.1407  109.4264  H     
28   H        16.0514   11.1222  113.7369  H     
29   H        19.6156   17.2458  108.2135  H     
30   H        19.9352   17.5881  109.9349  H     
31   H        18.5156   18.2521  109.1464  H     
32   H        22.9969   14.5750  109.0230  H     
33   H        22.3355   13.6145  107.6788  H     
34   H        22.2889   15.6315  106.2268  H     
35   H        23.9282   15.3528  106.8541  H     
36   H        22.9073   16.6254  107.5645  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    5   17 1
     9    7    8 1
    10    7   12 1
    11    8    9 1
    12    9   10 1
    13    9   13 2
    14   10   11 1
    15   11   12 2
    16   11   18 1
    17   12   14 1
    18   14   15 2
    19   14   16 1
    20   16   19 1
    21   19   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    6   24 1
    26    7   25 1
    27    8   26 1
    28   10   27 1
    29   17   28 1
    30   18   29 1
    31   18   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2818
  Crash		| -0.9924
  Polar		| 1.0895
  FragIndex	| 1
  FragRMSD	| 0.312