@<TRIPOS>MOLECULE
BindingDB_50198309
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.9742   25.2329  108.8563  C     
2    N        39.8012   26.0350  109.4455  N     
3    C        40.9937   25.5739  110.0428  C     
4    C        41.3136   24.1373  109.7834  C     
5    C        40.3723   23.4015  109.1208  C     
6    N        39.2537   23.9713  108.7268  N     
7    C        42.5817   23.6600  110.1775  C     
8    O        43.5085   24.5122  110.6871  O     
9    O        42.9770   22.3696  110.0069  O     
10   S        37.5102   25.8223  108.2277  S     
11   C        40.4949   21.9867  108.7756  C     
12   C        40.9243   25.8756  111.5145  C     
13   C        41.8928   26.6959  112.1427  C     
14   C        41.8722   26.9232  113.5383  C     
15   C        40.8332   26.3613  114.3100  C     
16   C        39.8521   25.5646  113.7018  C     
17   C        39.9020   25.3129  112.3211  C     
18   O        42.8333   27.6634  114.1505  O     
19   C        44.2484   21.8030  110.3426  C     
20   C        44.2809   20.3161  109.9277  C     
21   H        39.6051   26.9511  109.4817  H     
22   H        41.7824   26.1744  109.5738  H     
23   H        38.6345   23.4369  108.2750  H     
24   H        41.3450   21.8301  108.1083  H     
25   H        39.6134   21.5955  108.2627  H     
26   H        40.6275   21.3899  109.6775  H     
27   H        42.6605   27.1010  111.5965  H     
28   H        40.7946   26.5288  115.3224  H     
29   H        39.0881   25.1652  114.2610  H     
30   H        39.1790   24.7259  111.9001  H     
31   H        43.5067   27.8988  113.4778  H     
32   H        45.0440   22.3282  109.8116  H     
33   H        44.4167   21.8916  111.4166  H     
34   H        43.4749   19.7655  110.4142  H     
35   H        45.2373   19.8742  110.2161  H     
36   H        44.1652   20.2314  108.8458  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   10 2
     4    2    3 1
     5    3    4 1
     6    3   12 1
     7    4    5 2
     8    4    7 1
     9    5    6 1
    10    5   11 1
    11    7    8 2
    12    7    9 1
    13    9   19 1
    14   12   13 1
    15   12   17 2
    16   13   14 2
    17   14   15 1
    18   14   18 1
    19   15   16 2
    20   16   17 1
    21   19   20 1
    22    2   21 1
    23    3   22 1
    24    6   23 1
    25   11   24 1
    26   11   25 1
    27   11   26 1
    28   13   27 1
    29   15   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0400
  Crash		| -0.7798
  Polar		| 1.4195
  FragIndex	| 1
  FragRMSD	| 0.093