@<TRIPOS>MOLECULE
BindingDB_11451
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        34.6230  135.1732   35.2576  C     
2    C        35.2791  135.8757   34.2310  C     
3    C        35.9553  135.2056   33.1923  C     
4    C        35.8757  133.7872   33.1630  C     
5    C        35.1934  133.0773   34.1766  C     
6    C        34.5593  133.7657   35.2326  C     
7    N        36.5577  136.0027   32.2670  N     
8    C        37.4115  135.7727   31.2576  C     
9    C        38.4249  134.8735   31.2852  C     
10   C        39.3499  134.7602   30.2150  C     
11   C        38.1954  136.5424   29.1658  C     
12   C        36.8355  138.1172   28.7788  C     
13   N        39.1825  135.6300   29.1717  N     
14   N        37.3405  136.6145   30.1986  N     
15   N        36.5011  137.5821   29.9641  N     
16   N        37.8933  137.4839   28.2590  N     
17   N        32.5611  133.8266   37.2854  N     
18   S        33.7090  132.8956   36.4799  S     
19   O        32.9750  131.6193   35.8663  O     
20   O        34.7663  132.4433   37.5756  O     
21   N        40.4029  133.8688   30.1369  N     
22   C        41.2321  133.8154   28.9276  C     
23   C        40.4952  133.1431   27.7425  C     
24   C        40.7219  132.9780   31.2530  C     
25   C        41.7454  131.8210   31.0906  C     
26   H        34.1753  135.7044   36.0060  H     
27   H        35.2941  136.8989   34.2696  H     
28   H        36.2833  133.2460   32.3935  H     
29   H        35.1387  132.0548   34.1232  H     
30   H        36.2939  136.9311   32.3569  H     
31   H        38.5501  134.3284   32.1011  H     
32   H        36.3516  138.8996   28.3398  H     
33   H        32.2357  133.5491   38.1637  H     
34   H        32.0736  134.5219   36.7954  H     
35   H        41.5460  134.8181   28.6314  H     
36   H        42.1805  133.2763   29.0951  H     
37   H        40.1431  132.1546   28.0521  H     
38   H        41.1802  133.0281   26.8962  H     
39   H        39.6415  133.7398   27.4260  H     
40   H        41.0494  133.6091   32.0864  H     
41   H        39.8102  132.4599   31.5654  H     
42   H        41.4435  131.1407   30.2882  H     
43   H        41.7872  131.2281   32.0405  H     
44   H        42.7612  132.1740   30.9115  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   21   22 1
    25   21   24 1
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    7   30 1
    33    9   31 1
    34   12   32 1
    35   17   33 1
    36   17   34 1
    37   22   35 1
    38   22   36 1
    39   23   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5910
  Crash		| -1.7120
  Polar		| 2.4772
  FragIndex	| 1
  FragRMSD	| 0.978