@<TRIPOS>MOLECULE
BindingDB_11937
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.7650    3.7545   13.6766  C     
2    C        -3.0360    5.1007   14.0007  C     
3    N        -3.8887    6.2193   14.3607  N     
4    S        -5.5046    6.0015   14.8229  S     
5    O        -5.9085    6.7977   16.1405  O     
6    O        -6.5233    6.1895   13.6167  O     
7    C        -4.6951    3.3870   14.7832  C     
8    C        -5.5894    4.3403   15.2808  C     
9    C        -4.8324    2.1321   15.4143  C     
10   C        -5.8364    2.0740   16.3868  C     
11   S        -6.5795    3.6193   16.4838  S     
12   O        -5.9483   -0.5977   16.5205  O     
13   O        -5.5399    0.6845   18.7583  O     
14   S        -6.2814    0.7116   17.3532  S     
15   N        -7.9432    0.6997   17.5617  N     
16   C        -3.3520    7.4678   14.4624  C     
17   C        -3.0964    8.2209   13.2957  C     
18   C        -2.5193    9.5048   13.3813  C     
19   C        -2.1525   10.0227   14.6426  C     
20   C        -2.4086    9.2819   15.8099  C     
21   C        -3.0112    8.0134   15.7199  C     
22   O        -2.3063   10.2260   12.2373  O     
23   C        -3.3505   11.1830   11.9749  C     
24   N        -2.8451    2.6352   13.3348  N     
25   C        -1.7170    2.9138   12.4232  C     
26   H        -4.3941    3.9280   12.7968  H     
27   H        -2.3262    4.9284   14.8146  H     
28   H        -2.4602    5.3838   13.1167  H     
29   H        -4.2570    1.3207   15.1810  H     
30   H        -8.4224   -0.1280   17.4231  H     
31   H        -8.4252    1.5385   17.5200  H     
32   H        -3.3439    7.8412   12.3773  H     
33   H        -1.7204   10.9475   14.7129  H     
34   H        -2.1572    9.6665   16.7240  H     
35   H        -3.1938    7.4858   16.5749  H     
36   H        -4.3296   10.7027   11.8950  H     
37   H        -3.1343   11.6704   11.0250  H     
38   H        -3.3872   11.9498   12.7528  H     
39   H        -2.4606    2.2491   14.1971  H     
40   H        -3.4072    1.9053   12.8911  H     
41   H        -2.0359    3.5125   11.5690  H     
42   H        -1.3251    1.9665   12.0563  H     
43   H        -0.9205    3.4324   12.9570  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   24 1
     4    2    3 1
     5    3    4 1
     6    3   16 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   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    2   28 1
    31    9   29 1
    32   15   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0059
  Crash		| -1.9951
  Polar		| 3.4461
  FragIndex	| 1
  FragRMSD	| 0.891