@<TRIPOS>MOLECULE
BindingDB_50160904
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6212   42.3448   13.7331  N     
2    C        26.9495   43.1091   14.8164  C     
3    C        27.4338   43.3246   17.2337  C     
4    N        28.2889   43.5113   19.5551  N     
5    C        27.6283   44.7211   17.0830  C     
6    C        27.0838   42.5428   16.1092  C     
7    O        26.4870   42.8478   12.5349  O     
8    O        26.4324   41.1584   13.8075  O     
9    C        27.5780   42.6761   18.5626  C     
10   C        27.9888   45.5905   18.2374  C     
11   C        27.1734   44.5012   14.6864  C     
12   C        27.5106   45.2931   15.7978  C     
13   C        27.8228   44.9154   19.6343  C     
14   C        28.6001   45.6310   20.7820  C     
15   O        28.1475   47.9861   20.1840  O     
16   C        28.0296   47.0044   21.2081  C     
17   H        28.1760   43.0723   20.4710  H     
18   H        29.2842   43.5155   19.3187  H     
19   H        26.9347   41.5383   16.2381  H     
20   H        26.5866   42.4219   18.9461  H     
21   H        28.1500   41.7506   18.4616  H     
22   H        29.0271   45.9050   18.0993  H     
23   H        27.3561   46.4814   18.2129  H     
24   H        27.0945   44.9580   13.7746  H     
25   H        27.6652   46.2963   15.6632  H     
26   H        26.7587   44.9012   19.8965  H     
27   H        28.5733   44.9874   21.6670  H     
28   H        29.6509   45.7516   20.5028  H     
29   H        27.5262   48.6959   20.4550  H     
30   H        26.9780   46.8973   21.4827  H     
31   H        28.5782   47.3656   22.0804  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   14 1
    16   14   16 1
    17   15   16 1
    18    4   17 1
    19    4   18 1
    20    6   19 1
    21    9   20 1
    22    9   21 1
    23   10   22 1
    24   10   23 1
    25   11   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
    29   14   28 1
    30   15   29 1
    31   16   30 1
    32   16   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7120
  Crash		| -0.3949
  Polar		| 4.5389
  FragIndex	| 1
  FragRMSD	| 0.143