@<TRIPOS>MOLECULE
BindingDB_35733
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.7708    7.1701   12.4894  C     
2    C        -2.8820    5.8545   13.1004  C     
3    O        -1.8946    5.1381   13.0994  O     
4    N        -4.0523    5.5289   13.6573  N     
5    C        -4.4350    4.4526   14.4067  C     
6    C        -6.3728    3.2613   15.3490  C     
7    C        -5.8385    4.3213   14.5910  C     
8    C        -3.5925    3.5189   15.0464  C     
9    C        -4.1254    2.4441   15.7759  C     
10   C        -5.5201    2.3050   15.9282  C     
11   S        -6.1612    0.9768   16.8524  S     
12   O        -5.9046   -0.3059   15.9555  O     
13   O        -5.3292    0.7578   18.1840  O     
14   N        -7.8138    0.9311   17.1306  N     
15   C        -2.0570    8.1704   13.3379  C     
16   C        -0.5458   10.0934   13.5403  C     
17   C        -0.8048   10.1586   14.9193  C     
18   C        -1.6974    9.2527   15.5113  C     
19   C        -2.3340    8.2822   14.7251  C     
20   C        -1.1627    9.1024   12.7544  C     
21   H        -2.2908    7.0448   11.5146  H     
22   H        -3.7650    7.5861   12.2860  H     
23   H        -4.7558    6.1787   13.5147  H     
24   H        -7.3857    3.1880   15.4679  H     
25   H        -6.4874    4.9901   14.1633  H     
26   H        -2.5837    3.6091   15.0145  H     
27   H        -3.4905    1.7691   16.2098  H     
28   H        -8.2646    0.0726   17.1131  H     
29   H        -8.3356    1.7508   17.0947  H     
30   H         0.0929   10.7662   13.1122  H     
31   H        -0.3472   10.8662   15.4960  H     
32   H        -1.8936    9.3023   16.5103  H     
33   H        -2.9933    7.6504   15.1843  H     
34   H        -0.9704    9.0788   11.7491  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   15 1
     3    2    3 2
     4    2    4 am
     5    4    5 1
     6    5    7 2
     7    5    8 1
     8    6    7 1
     9    6   10 2
    10    8    9 2
    11    9   10 1
    12   10   11 1
    13   11   12 2
    14   11   13 2
    15   11   14 am
    16   15   19 2
    17   15   20 1
    18   16   17 1
    19   16   20 2
    20   17   18 2
    21   18   19 1
    22    1   21 1
    23    1   22 1
    24    4   23 1
    25    6   24 1
    26    7   25 1
    27    8   26 1
    28    9   27 1
    29   14   28 1
    30   14   29 1
    31   16   30 1
    32   17   31 1
    33   18   32 1
    34   19   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5699
  Crash		| -1.4984
  Polar		| 2.5731
  FragIndex	| 1
  FragRMSD	| 1.483