@<TRIPOS>MOLECULE
BindingDB_11398
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2032    3.7226   15.2665  C     
2    C        -3.0219    5.0516   15.0493  C     
3    N        -4.0267    5.9514   15.2910  N     
4    C        -3.8366    7.1873   16.0038  C     
5    S        -5.6348    5.4791   15.0130  S     
6    O        -6.7287    6.2389   15.8797  O     
7    O        -6.0189    5.4893   13.4711  O     
8    C        -4.4046    3.1563   15.6729  C     
9    C        -5.6120    3.8556   15.5975  C     
10   C        -4.5467    1.8596   16.2061  C     
11   C        -5.8497    1.5301   16.5956  C     
12   S        -6.8634    2.8760   16.2488  S     
13   N        -5.6768   -1.2657   16.5304  N     
14   S        -6.3406    0.0469   17.3425  S     
15   O        -5.6448    0.0564   18.7712  O     
16   O        -7.9185   -0.0628   17.5019  O     
17   C        -1.7080    5.4926   14.5416  C     
18   C        -1.8915    7.6208   13.1803  C     
19   C        -0.6804    5.6374   12.2739  C     
20   N        -1.7646    6.1250   13.1820  N     
21   C        -0.8337    8.4686   13.9433  C     
22   O        -1.4284    9.2308   15.0087  O     
23   C        -0.7115    9.2078   16.2530  C     
24   H        -2.4352    3.1001   15.1474  H     
25   H        -2.8337    7.3007   16.4120  H     
26   H        -4.5179    7.2558   16.8543  H     
27   H        -4.0289    8.0265   15.3330  H     
28   H        -3.7574    1.2213   16.3349  H     
29   H        -5.3150   -2.0045   17.0428  H     
30   H        -5.4284   -1.1710   15.5964  H     
31   H        -1.2111    6.1759   15.2223  H     
32   H        -1.0575    4.6151   14.5163  H     
33   H        -1.8721    7.9459   12.1359  H     
34   H        -2.8854    7.8867   13.5467  H     
35   H         0.3061    5.7831   12.7214  H     
36   H        -0.7049    6.1488   11.3111  H     
37   H        -0.8195    4.5740   12.0748  H     
38   H        -2.6362    5.7834   12.7622  H     
39   H        -0.0535    7.8106   14.3283  H     
40   H        -0.3705    9.1560   13.2300  H     
41   H        -1.2432    9.8345   16.9714  H     
42   H         0.2973    9.6060   16.1324  H     
43   H        -0.6586    8.1938   16.6515  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    2   17 1
     5    3    4 1
     6    3    5 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   20 1
    20   18   20 1
    21   18   21 1
    22   19   20 1
    23   21   22 1
    24   22   23 1
    25    1   24 1
    26    4   25 1
    27    4   26 1
    28    4   27 1
    29   10   28 1
    30   13   29 1
    31   13   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   19   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   23   41 1
    43   23   42 1
    44   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8127
  Crash		| -2.2885
  Polar		| 1.7436
  FragIndex	| 1
  FragRMSD	| 1.054