@<TRIPOS>MOLECULE
BindingDB_13056
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.0196    3.6074   13.5583  C     
2    C        -3.2413    4.9132   13.9184  C     
3    S        -5.5636    5.8908   14.9382  S     
4    O        -5.6076    6.6984   16.3080  O     
5    O        -6.8049    6.2320   14.0087  O     
6    N        -4.1018    6.0637   14.0943  N     
7    C        -3.7058    7.3725   13.6325  C     
8    C        -2.7087    8.0928   14.5729  C     
9    C        -3.1884    8.1866   16.0460  C     
10   O        -2.3365    8.9240   16.9429  O     
11   C        -1.4328    9.8773   16.3544  C     
12   N        -3.1407    2.4858   13.1459  N     
13   C        -2.2870    2.6786   11.9449  C     
14   C        -1.5425    1.3747   11.6038  C     
15   C        -4.9082    3.2342   14.7073  C     
16   C        -5.7029    4.2086   15.3218  C     
17   C        -5.0813    1.9503   15.2795  C     
18   C        -5.9800    1.9010   16.3471  C     
19   S        -6.6018    3.4814   16.5860  S     
20   N        -5.3884   -0.7944   17.0509  N     
21   S        -6.4089    0.5227   17.3040  S     
22   O        -6.4867    0.9298   18.8396  O     
23   O        -7.8664    0.1359   16.8055  O     
24   H        -4.6747    3.8288   12.7107  H     
25   H        -2.6701    4.7650   14.8323  H     
26   H        -2.5255    5.1236   13.1252  H     
27   H        -3.2327    7.2703   12.6517  H     
28   H        -4.5765    8.0242   13.4802  H     
29   H        -1.7225    7.6176   14.5366  H     
30   H        -2.5857    9.1061   14.1696  H     
31   H        -4.1992    8.6174   16.0622  H     
32   H        -3.2512    7.1609   16.4356  H     
33   H        -0.5609    9.3549   15.9597  H     
34   H        -1.1252   10.5754   17.1288  H     
35   H        -1.9182   10.4544   15.5590  H     
36   H        -2.5381    2.2422   13.9277  H     
37   H        -3.7464    1.6869   12.9516  H     
38   H        -2.8982    2.9690   11.0841  H     
39   H        -1.5389    3.4535   12.1273  H     
40   H        -0.9274    1.0584   12.4576  H     
41   H        -0.8854    1.5242   10.7435  H     
42   H        -2.2619    0.5832   11.3714  H     
43   H        -4.5804    1.1128   14.9571  H     
44   H        -5.6459   -1.6750   17.3699  H     
45   H        -4.5119   -0.6568   16.6572  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   16 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 2
    17   15   17 1
    18   16   19 1
    19   17   18 2
    20   18   19 1
    21   18   21 1
    22   20   21 am
    23   21   22 2
    24   21   23 2
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   17   43 1
    45   20   44 1
    46   20   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8201
  Crash		| -1.8824
  Polar		| 1.6534
  FragIndex	| 1
  FragRMSD	| 0.649