@<TRIPOS>MOLECULE
BindingDB_11406
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3844    4.0366   14.5817  C     
2    C        -3.4238    5.2141   13.8949  C     
3    N        -4.6235    5.8502   13.5837  N     
4    S        -6.0400    5.4497   14.4384  S     
5    O        -6.4255    6.4751   15.5896  O     
6    O        -7.2754    5.1479   13.4847  O     
7    C        -4.4543    3.3999   15.1907  C     
8    C        -5.7239    3.9626   15.2143  C     
9    C        -4.3927    2.1774   15.8956  C     
10   C        -5.6034    1.7815   16.4738  C     
11   S        -6.7884    2.9710   16.1181  S     
12   N        -7.5253    0.2768   17.8838  N     
13   S        -5.9341    0.3426   17.3678  S     
14   O        -5.7828   -0.8876   16.3780  O     
15   O        -4.9568    0.0878   18.5931  O     
16   C        -2.1072    5.7500   13.4591  C     
17   C        -4.8245    6.9375   12.6286  C     
18   C        -4.5425    6.6241   11.1318  C     
19   C        -5.5074    7.3361   10.1514  C     
20   C        -1.6856    9.0855   15.3772  C     
21   C        -1.8930    7.5600   15.2030  C     
22   C        -0.5527    7.6736   13.1238  C     
23   C        -0.3752    9.1941   13.3565  C     
24   N        -1.8258    7.1955   13.7517  N     
25   O        -0.4545    9.5100   14.7602  O     
26   H        -2.5116    3.5756   14.7067  H     
27   H        -3.5371    1.6255   15.9860  H     
28   H        -8.1762   -0.1991   17.3468  H     
29   H        -7.8259    0.9000   18.5616  H     
30   H        -1.2692    5.1927   13.8964  H     
31   H        -2.0301    5.5560   12.3882  H     
32   H        -5.8537    7.3125   12.6659  H     
33   H        -4.2301    7.7941   12.9368  H     
34   H        -3.5376    6.9696   10.8835  H     
35   H        -4.6022    5.5454   10.9580  H     
36   H        -6.5289    6.9729   10.2895  H     
37   H        -5.2040    7.1365    9.1209  H     
38   H        -5.4888    8.4162   10.3184  H     
39   H        -2.5298    9.6315   14.9460  H     
40   H        -1.6378    9.3281   16.4394  H     
41   H        -1.1256    7.0247   15.7699  H     
42   H        -2.8698    7.3008   15.6202  H     
43   H        -0.5714    7.4915   12.0459  H     
44   H         0.3064    7.1453   13.5454  H     
45   H         0.6037    9.5057   12.9881  H     
46   H        -1.1363    9.7509   12.8029  H     
47   H        -2.5494    7.7364   13.2916  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   24 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   20   25 1
    24   21   24 1
    25   22   23 1
    26   22   24 1
    27   23   25 1
    28    1   26 1
    29    9   27 1
    30   12   28 1
    31   12   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   19   38 1
    41   20   39 1
    42   20   40 1
    43   21   41 1
    44   21   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   24   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6591
  Crash		| -3.8829
  Polar		| 1.7085
  FragIndex	| 1
  FragRMSD	| 0.885