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


@<TRIPOS>ATOM
1    C        -8.1488   49.6246   15.1942  C     
2    C        -7.6401   50.0969   16.4230  C     
3    C        -7.7654   51.4630   16.7589  C     
4    C        -8.4173   52.3583   15.8911  C     
5    C        -8.7904   50.5282   14.3161  C     
6    C        -9.3415   50.3926   13.0593  C     
7    C        -8.9347   51.8704   14.6763  C     
8    N        -9.5878   52.4908   13.6804  N     
9    C        -9.8361   51.6175   12.7240  C     
10   O       -10.4258   51.9480   11.7037  O     
11   N        -9.7989   49.1873   11.0674  N     
12   C        -9.7085   48.1311   10.2070  C     
13   C        -9.5616   46.0533    8.2371  C     
14   C        -8.9458   45.8888    9.5000  C     
15   C        -9.0162   46.9138   10.4745  C     
16   C       -10.3290   48.2738    8.9454  C     
17   C       -10.2671   47.2531    7.9759  C     
18   O       -10.8795   44.3048    6.6558  O     
19   S        -9.4185   44.8543    6.9697  S     
20   O        -8.8534   45.6021    5.6810  O     
21   N        -8.4321   43.5366    7.3034  N     
22   C        -9.3096   49.2740   12.3057  C     
23   H        -8.0490   48.6311   14.9495  H     
24   H        -7.1753   49.4551   17.0609  H     
25   H        -7.3696   51.8018   17.6367  H     
26   H        -8.5032   53.3408   16.1190  H     
27   H        -9.8519   53.4314   13.6842  H     
28   H       -10.2726   49.9584   10.7091  H     
29   H        -8.4361   45.0267    9.7159  H     
30   H        -8.5451   46.7640   11.3731  H     
31   H       -10.8328   49.1461    8.7226  H     
32   H       -10.7462   47.3941    7.0802  H     
33   H        -8.4749   42.7469    6.7252  H     
34   H        -7.6487   43.6810    7.8881  H     
35   H        -8.8669   48.4737   12.6846  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	| 8.0854
  Crash		| -0.6462
  Polar		| 3.3680
  FragIndex	| 1
  FragRMSD	| 0.861