@<TRIPOS>MOLECULE
BindingDB_11933
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.5644    3.9186   14.6044  C     
2    C        -2.3466    5.4533   14.4900  C     
3    N        -3.3576    6.2093   13.7766  N     
4    S        -4.9874    5.7621   13.9213  S     
5    O        -5.8347    6.8217   14.7486  O     
6    O        -5.6948    5.4191   12.5385  O     
7    O        -2.4269    3.3113   13.3232  O     
8    C        -3.8918    3.5656   15.1576  C     
9    C        -5.0338    4.3155   14.8644  C     
10   C        -4.1527    2.4436   15.9671  C     
11   C        -5.4920    2.2979   16.3404  C     
12   S        -6.3837    3.5871   15.6362  S     
13   O        -6.2695   -0.3195   16.4447  O     
14   O        -5.1388    0.7106   18.4718  O     
15   S        -6.1570    1.0165   17.2924  S     
16   N        -7.6427    1.3541   17.9901  N     
17   C        -3.0887    7.4860   13.3389  C     
18   C        -2.1804    8.3334   14.0222  C     
19   C        -1.8792    9.6181   13.5342  C     
20   C        -2.4820   10.0849   12.3497  C     
21   C        -3.4083    9.2651   11.6762  C     
22   C        -3.7016    7.9772   12.1623  C     
23   O        -2.2198   11.3448   11.8828  O     
24   C        -1.0545   11.4111   11.0419  C     
25   H        -1.7784    3.5161   15.2511  H     
26   H        -2.2740    5.8503   15.5051  H     
27   H        -1.3737    5.6073   14.0101  H     
28   H        -2.0994    2.4079   13.5178  H     
29   H        -3.4270    1.7804   16.2484  H     
30   H        -7.7934    1.1342   18.9215  H     
31   H        -8.3872    1.6227   17.4283  H     
32   H        -1.7349    8.0266   14.8895  H     
33   H        -1.2247   10.2149   14.0454  H     
34   H        -3.8617    9.6008   10.8226  H     
35   H        -4.3543    7.3908   11.6387  H     
36   H        -0.1515   11.1354   11.5933  H     
37   H        -0.9412   12.4398   10.6996  H     
38   H        -1.1568   10.7686   10.1629  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1    8 1
     4    2    3 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   15 1
    16   13   15 2
    17   14   15 2
    18   15   16 am
    19   17   18 2
    20   17   22 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   20   23 1
    25   21   22 2
    26   23   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    7   28 1
    31   10   29 1
    32   16   30 1
    33   16   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   22   35 1
    38   24   36 1
    39   24   37 1
    40   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9094
  Crash		| -1.7133
  Polar		| 3.9600
  FragIndex	| 1
  FragRMSD	| 0.960