@<TRIPOS>MOLECULE
BindingDB_7682
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8820   49.9547   14.9481  C     
2    C        -7.1701   50.4499   16.0646  C     
3    C        -7.2592   51.8122   16.4230  C     
4    C        -8.0743   52.6891   15.6818  C     
5    C        -8.6930   50.8414   14.2003  C     
6    C        -9.4575   50.6849   13.0626  C     
7    C        -8.7943   52.1758   14.5859  C     
8    N        -9.6291   52.7734   13.7290  N     
9    C       -10.0274   51.8947   12.8317  C     
10   O       -10.7837   52.1999   11.9189  O     
11   N       -10.3000   49.4519   11.2340  N     
12   C       -10.2427   48.5166   10.2439  C     
13   C       -10.2347   46.6739    8.0576  C     
14   C        -9.2315   46.6164    9.0482  C     
15   C        -9.2368   47.5217   10.1353  C     
16   C       -11.2505   48.5541    9.2591  C     
17   C       -11.2465   47.6470    8.1810  C     
18   O        -8.8082   45.7634    5.9614  O     
19   S       -10.2097   45.5865    6.6941  S     
20   O       -10.3388   44.1099    7.2703  O     
21   N       -11.4518   45.8429    5.5873  N     
22   C        -9.5296   49.5628   12.3120  C     
23   H        -7.8017   48.9674   14.6896  H     
24   H        -6.5726   49.8152   16.6079  H     
25   H        -6.7193   52.1648   17.2102  H     
26   H        -8.1317   53.6760   15.9186  H     
27   H        -9.9110   53.7089   13.7642  H     
28   H       -10.9817   50.1287   11.1120  H     
29   H        -8.4818   45.9254    8.9769  H     
30   H        -8.4794   47.4732   10.8302  H     
31   H       -11.9990   49.2560    9.3201  H     
32   H       -12.0014   47.7172    7.4863  H     
33   H       -11.6338   45.1550    4.9202  H     
34   H       -11.8077   46.7447    5.4732  H     
35   H        -8.9837   48.7766   12.5789  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    4    7 2
     6    5    6 1
     7    5    7 1
     8    6    9 1
     9    6   22 2
    10    7    8 1
    11    8    9 1
    12    9   10 2
    13   11   12 1
    14   11   22 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   13   19 1
    20   14   15 1
    21   16   17 2
    22   18   19 2
    23   19   20 2
    24   19   21 am
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    8   27 1
    30   11   28 1
    31   14   29 1
    32   15   30 1
    33   16   31 1
    34   17   32 1
    35   21   33 1
    36   21   34 1
    37   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2657
  Crash		| -0.6572
  Polar		| 3.7732
  FragIndex	| 1
  FragRMSD	| 0.896