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


@<TRIPOS>ATOM
1    C        -3.6940    2.1660   12.1114  C     
2    C        -2.7582    3.3512   11.7098  C     
3    N        -3.4866    4.5521   11.3848  N     
4    S        -4.6282    5.1474   12.4787  S     
5    O        -4.0693    6.3365   13.3729  O     
6    O        -5.9992    5.5077   11.7638  O     
7    C        -4.5054    2.5179   13.3199  C     
8    C        -4.9973    3.8159   13.5184  C     
9    C        -4.8494    1.6471   14.3797  C     
10   C        -5.5882    2.2294   15.4120  C     
11   S        -5.8318    3.8816   15.0165  S     
12   O        -6.6304   -0.0061   16.6415  O     
13   O        -4.7505    1.2415   17.7458  O     
14   S        -6.0687    1.4593   16.8857  S     
15   N        -7.1232    2.3273   17.8607  N     
16   C        -3.0557    5.3843   10.3992  C     
17   C        -1.9663    6.2516   10.6285  C     
18   C        -1.4779    7.0770    9.5962  C     
19   C        -2.0992    7.0495    8.3316  C     
20   C        -3.1859    6.1878    8.0958  C     
21   C        -3.6622    5.3551    9.1256  C     
22   O        -0.4476    7.9413    9.8400  O     
23   C         0.7808    7.2803   10.1808  C     
24   N        -2.9370    0.9032   12.3313  N     
25   C        -1.9480    0.4781   11.3174  C     
26   H        -4.3975    1.9980   11.2913  H     
27   H        -2.0748    3.5644   12.5368  H     
28   H        -2.1499    3.0512   10.8514  H     
29   H        -4.5652    0.6673   14.4150  H     
30   H        -6.7820    2.8064   18.6334  H     
31   H        -8.0556    2.4239   17.6020  H     
32   H        -1.5218    6.2827   11.5494  H     
33   H        -1.7609    7.6571    7.5819  H     
34   H        -3.6305    6.1667    7.1754  H     
35   H        -4.4448    4.7227    8.9422  H     
36   H         0.6743    6.6812   11.0879  H     
37   H         1.5382    8.0415   10.3629  H     
38   H         1.1288    6.6452    9.3628  H     
39   H        -2.4624    0.9782   13.2356  H     
40   H        -3.6257    0.1469   12.3976  H     
41   H        -2.3052    0.6747   10.3042  H     
42   H        -1.7747   -0.5935   11.4213  H     
43   H        -1.0011    0.9960   11.4764  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	| 7.1816
  Crash		| -0.6448
  Polar		| 5.1419
  FragIndex	| 1
  FragRMSD	| 1.046