@<TRIPOS>MOLECULE
BindingDB_11390
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8106    4.1217   14.5520  C     
2    C        -2.6302    5.2422   13.8075  C     
3    N        -3.5950    6.2243   13.7291  N     
4    C        -3.3083    7.5447   13.4678  C     
5    C        -3.8333    8.1765   12.3150  C     
6    C        -3.4933    9.5116   12.0137  C     
7    C        -2.6204   10.2196   12.8595  C     
8    C        -2.1051    9.6131   14.0250  C     
9    C        -2.4570    8.2776   14.3268  C     
10   O        -1.2955   10.3301   14.8430  O     
11   S        -5.2013    5.9751   14.2183  S     
12   O        -5.6277    6.9775   15.3804  O     
13   O        -6.2543    5.9004   13.0245  O     
14   C        -4.0055    3.7075   15.1274  C     
15   C        -5.1798    4.4515   15.0121  C     
16   C        -4.1981    2.5116   15.8517  C     
17   C        -5.5059    2.2967   16.3019  C     
18   S        -6.4606    3.6417   15.8157  S     
19   N        -7.6846    1.0609   17.7275  N     
20   S        -6.1171    0.9227   17.1598  S     
21   O        -6.0277   -0.3979   16.2849  O     
22   O        -5.2135    0.6651   18.4403  O     
23   C        -1.3688    5.4344   13.0549  C     
24   C        -0.9996    3.0823   10.8087  C     
25   C        -0.7648    3.0394   12.3408  C     
26   C         0.8774    4.8366   12.1194  C     
27   C         0.6489    4.8285   10.5839  C     
28   N        -0.3247    4.3607   12.8900  N     
29   O         0.1910    3.5332   10.1374  O     
30   H        -2.0321    3.5496   14.7283  H     
31   H        -4.4497    7.6589   11.6811  H     
32   H        -3.8759    9.9617   11.1849  H     
33   H        -2.3825   11.1906   12.6389  H     
34   H        -2.0706    7.8353   15.1674  H     
35   H        -1.5774   10.1273   15.7641  H     
36   H        -3.4542    1.8353   16.0055  H     
37   H        -8.4228    1.0764   17.1020  H     
38   H        -7.8666    0.9679   18.6725  H     
39   H        -1.6442    5.7820   12.0536  H     
40   H        -0.8658    6.2636   13.5516  H     
41   H        -1.2235    2.0737   10.4534  H     
42   H        -1.8457    3.7277   10.5700  H     
43   H        -1.6463    2.6555   12.8519  H     
44   H         0.0276    2.3125   12.5409  H     
45   H         1.7226    4.1751   12.3481  H     
46   H         1.1796    5.8428   12.4323  H     
47   H        -0.0681    5.5978   10.2898  H     
48   H         1.5920    5.0498   10.0844  H     
49   H         0.0242    4.1636   13.8274  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    2   23 1
     5    3    4 1
     6    3   11 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 2
    16   11   15 1
    17   14   15 2
    18   14   16 1
    19   15   18 1
    20   16   17 2
    21   17   18 1
    22   17   20 1
    23   19   20 am
    24   20   21 2
    25   20   22 2
    26   23   28 1
    27   24   25 1
    28   24   29 1
    29   25   28 1
    30   26   27 1
    31   26   28 1
    32   27   29 1
    33    1   30 1
    34    5   31 1
    35    6   32 1
    36    7   33 1
    37    9   34 1
    38   10   35 1
    39   16   36 1
    40   19   37 1
    41   19   38 1
    42   23   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9818
  Crash		| -2.2959
  Polar		| 6.2786
  FragIndex	| 1
  FragRMSD	| 0.833