@<TRIPOS>MOLECULE
BindingDB_13501
 67 72 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8677   17.3555   78.7208  C     
2    C        16.1647   17.2288   80.1006  C     
3    C        17.4738   16.9348   80.5344  C     
4    C        18.5179   16.7249   79.5947  C     
5    C        18.2230   16.9091   78.2202  C     
6    C        16.9209   17.2186   77.7874  C     
7    C        19.8815   16.2404   79.9935  C     
8    C        21.8160   16.5770   81.3725  C     
9    C        20.8733   17.3012   80.5389  C     
10   N        21.4470   15.3925   81.7869  N     
11   O        18.9076   15.0305   82.4539  O     
12   O        22.9113   17.0333   81.6839  O     
13   C        14.4610   17.5450   78.2457  C     
14   C        13.7847   18.8893   78.6537  C     
15   C        14.4838   20.0712   78.0911  C     
16   C        15.2575   21.4783   76.6367  C     
17   C        15.2739   22.0742   77.8949  C     
18   C        16.0667   23.5206   75.6357  C     
19   C        15.6439   22.1848   75.4863  C     
20   C        15.7028   23.4021   78.0597  C     
21   C        16.1025   24.1266   76.9153  C     
22   N        14.7925   21.1893   78.7862  N     
23   N        14.7897   20.2365   76.7938  N     
24   S        19.9315   14.9444   81.2407  S     
25   O        20.0519   13.5038   80.5764  O     
26   N        12.4303   18.8911   78.1807  N     
27   S        11.3176   20.1141   78.5347  S     
28   O         9.8952   19.4467   78.8019  O     
29   O        11.7013   20.8016   79.9209  O     
30   C        11.2029   21.3294   77.2965  C     
31   C        12.0231   21.2501   76.1529  C     
32   C        10.2794   22.3940   77.4060  C     
33   C        10.1611   23.3404   76.3661  C     
34   C        10.9617   23.2472   75.2098  C     
35   C        11.9316   22.2172   75.1384  C     
36   O        10.7577   24.1617   74.1926  O     
37   C        10.3507   23.5946   73.0039  C     
38   C         9.0595   23.0370   72.8371  C     
39   C         8.7588   22.3329   71.6576  C     
40   C        10.9149   22.8158   70.7679  C     
41   C        11.2657   23.5265   71.9337  C     
42   N         9.6956   22.2259   70.6810  N     
43   H        15.4190   17.3333   80.7955  H     
44   H        17.6525   16.8332   81.5389  H     
45   H        18.9566   16.7848   77.5080  H     
46   H        16.7432   17.3063   76.7813  H     
47   H        20.3747   15.7717   79.1364  H     
48   H        21.3921   17.8033   79.7124  H     
49   H        20.3658   18.0601   81.1355  H     
50   H        22.0360   14.7907   82.2779  H     
51   H        14.4053   17.4518   77.1546  H     
52   H        13.8757   16.7157   78.6562  H     
53   H        13.7699   18.9577   79.7463  H     
54   H        16.3387   24.0632   74.8114  H     
55   H        15.6138   21.7399   74.5665  H     
56   H        15.7190   23.8328   78.9871  H     
57   H        16.4035   25.0939   77.0107  H     
58   H        14.6176   19.6054   76.0785  H     
59   H        12.2437   18.3588   77.3854  H     
60   H        12.6649   20.4751   76.0267  H     
61   H         9.6819   22.4778   78.2305  H     
62   H         9.4768   24.0948   76.4507  H     
63   H        12.5432   22.1345   74.3277  H     
64   H         8.3713   23.0998   73.5880  H     
65   H         7.8484   21.8886   71.5406  H     
66   H        11.5815   22.7262   69.9981  H     
67   H        12.1962   23.9380   72.0196  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   24 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   24 1
    15   11   24 2
    16   14   13 1
    17   14   15 1
    18   14   26 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   25 2
    30   26   27 1
    31   27   28 2
    32   27   29 2
    33   27   30 1
    34   30   31 1
    35   30   32 2
    36   31   35 2
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   34   36 1
    41   36   37 1
    42   37   38 1
    43   37   41 2
    44   38   39 2
    45   39   42 1
    46   40   41 1
    47   40   42 2
    48    2   43 1
    49    3   44 1
    50    5   45 1
    51    6   46 1
    52    7   47 1
    53    9   48 1
    54    9   49 1
    55   10   50 1
    56   13   51 1
    57   13   52 1
    58   14   53 1
    59   18   54 1
    60   19   55 1
    61   20   56 1
    62   21   57 1
    63   23   58 1
    64   26   59 1
    65   31   60 1
    66   32   61 1
    67   33   62 1
    68   35   63 1
    69   38   64 1
    70   39   65 1
    71   40   66 1
    72   41   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8334
  Crash		| -2.8369
  Polar		| 5.9444
  FragIndex	| 1
  FragRMSD	| 0.733