@<TRIPOS>MOLECULE
BindingDB_11450
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.4724  135.3226   35.3808  C     
2    C        35.0385  136.0053   34.2887  C     
3    C        35.7491  135.3003   33.2947  C     
4    C        35.8268  133.8873   33.3658  C     
5    C        35.1728  133.1915   34.4143  C     
6    C        34.4754  133.9133   35.4276  C     
7    N        36.3519  136.0482   32.3609  N     
8    C        37.3951  135.7850   31.5608  C     
9    C        38.3965  134.8934   31.8373  C     
10   C        39.3551  134.5881   30.8525  C     
11   C        38.4845  136.3316   29.5412  C     
12   C        37.1837  137.8411   28.7961  C     
13   N        39.4128  135.3483   29.7207  N     
14   N        37.4811  136.5078   30.4299  N     
15   N        36.6732  137.4107   29.9664  N     
16   N        38.3239  137.1705   28.5088  N     
17   N        32.3044  133.9524   37.4383  N     
18   S        33.5248  133.0974   36.6451  S     
19   O        32.8373  131.7796   36.0818  O     
20   O        34.4723  132.6731   37.8395  O     
21   N        40.1322  133.4805   31.0313  N     
22   C        41.1115  132.9327   30.1310  C     
23   C        42.0723  131.9752   30.8983  C     
24   C        41.3496  130.6790   31.3660  C     
25   C        40.6636  129.9147   30.2035  C     
26   C        39.7349  130.8596   29.3845  C     
27   C        40.4379  132.1738   28.9481  C     
28   O        41.6626  129.2802   29.4182  O     
29   H        34.0183  135.8948   36.1051  H     
30   H        34.9853  137.0398   34.2647  H     
31   H        36.3794  133.4066   32.6233  H     
32   H        35.1846  132.1750   34.4266  H     
33   H        35.9779  136.9266   32.2800  H     
34   H        38.3671  134.3890   32.7484  H     
35   H        36.7460  138.5535   28.1977  H     
36   H        31.9183  133.5862   38.2671  H     
37   H        31.8480  134.6882   36.9782  H     
38   H        39.9629  132.9788   31.8421  H     
39   H        41.7125  133.7428   29.7212  H     
40   H        42.9068  131.7002   30.2386  H     
41   H        42.5126  132.4904   31.7556  H     
42   H        42.0652  130.0195   31.8536  H     
43   H        40.5845  130.9435   32.1047  H     
44   H        40.0549  129.1192   30.6314  H     
45   H        39.3668  130.3376   28.5010  H     
46   H        38.8645  131.1271   29.9951  H     
47   H        39.7207  132.8306   28.4422  H     
48   H        41.2193  131.9196   28.2234  H     
49   H        41.1769  128.8810   28.6403  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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2453
  Crash		| -1.7380
  Polar		| 3.1420
  FragIndex	| 1
  FragRMSD	| 0.912