@<TRIPOS>MOLECULE
BindingDB_11452
 51 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.4263  135.3532   35.5826  C     
2    C        35.1021  136.0724   34.5835  C     
3    C        35.7918  135.4219   33.5568  C     
4    C        35.7614  133.9978   33.5181  C     
5    C        35.0373  133.2690   34.5004  C     
6    C        34.3729  133.9417   35.5347  C     
7    N        36.4255  136.1899   32.6254  N     
8    C        37.3452  135.8755   31.7144  C     
9    C        38.3133  134.9685   31.9240  C     
10   C        39.2436  134.6564   30.9202  C     
11   C        38.2885  136.3534   29.5894  C     
12   C        36.9884  137.8680   28.9005  C     
13   N        39.2253  135.3775   29.7505  N     
14   N        37.3762  136.5849   30.5477  N     
15   N        36.5758  137.5120   30.1305  N     
16   N        38.0654  137.1525   28.5468  N     
17   N        32.1928  133.9436   37.3643  N     
18   S        33.4481  133.0467   36.7092  S     
19   O        32.8441  131.7128   36.0818  O     
20   O        34.4325  132.6995   37.9083  O     
21   N        40.0682  133.6046   31.0959  N     
22   C        40.9474  133.0169   30.1399  C     
23   C        40.1573  132.3151   28.9870  C     
24   C        39.4473  131.0184   29.4601  C     
25   C        40.4312  130.0189   30.1299  C     
26   C        41.2473  130.6958   31.2672  C     
27   C        41.9262  132.0201   30.8232  C     
28   N        41.3099  129.4142   29.1173  N     
29   H        33.9633  135.8592   36.3398  H     
30   H        35.0996  137.1018   34.6340  H     
31   H        36.1905  133.4819   32.7616  H     
32   H        35.0072  132.2529   34.4195  H     
33   H        36.1353  137.1270   32.6255  H     
34   H        38.3976  134.4911   32.7947  H     
35   H        36.5318  138.5650   28.3160  H     
36   H        31.9005  133.7815   38.2785  H     
37   H        31.7723  134.6354   36.8296  H     
38   H        40.0247  133.1670   31.9801  H     
39   H        41.5497  133.8213   29.6985  H     
40   H        39.4093  132.9908   28.5671  H     
41   H        40.8534  132.0756   28.1796  H     
42   H        38.6617  131.2807   30.1769  H     
43   H        38.9634  130.5381   28.6045  H     
44   H        39.8443  129.1986   30.5602  H     
45   H        40.5759  130.9010   32.1051  H     
46   H        42.0085  129.9984   31.6231  H     
47   H        42.7362  131.7822   30.1308  H     
48   H        42.3783  132.4931   31.6996  H     
49   H        40.7321  128.9601   28.4112  H     
50   H        41.9042  128.7114   29.5559  H     
51   H        41.8880  130.1309   28.6771  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   22   21 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   28 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   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
    53   28   50 1
    54   28   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3095
  Crash		| -1.8556
  Polar		| 3.3109
  FragIndex	| 1
  FragRMSD	| 0.958