@<TRIPOS>MOLECULE
BindingDB_14798
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.4453    1.1391   64.6815  C     
2    C        43.6395    1.6066   64.1323  C     
3    N        41.4432    1.6243   63.9358  N     
4    N        41.8927    2.3747   62.9754  N     
5    C        42.2212    0.2833   65.8636  C     
6    C        44.9461    1.3360   64.6031  C     
7    O        45.1344    0.8311   65.8468  O     
8    O        46.0327    1.6237   63.8424  O     
9    C        47.4115    1.4655   64.1963  C     
10   C        48.2663    2.4272   63.3482  C     
11   C        41.0300    2.9832   62.0835  C     
12   C        39.7488    3.4037   62.5201  C     
13   C        38.8233    3.9676   61.6245  C     
14   C        39.1643    4.1511   60.2775  C     
15   C        40.4445    3.7706   59.8003  C     
16   C        41.3437    3.1559   60.7140  C     
17   C        43.2498    2.4189   63.0553  C     
18   C        44.1688    3.2781   62.2616  C     
19   N        40.8037    3.9892   58.4990  N     
20   O        41.8907    3.7085   58.0674  O     
21   O        40.0119    4.5712   57.6384  O     
22   H        42.7437   -0.6678   65.7353  H     
23   H        41.1530    0.0866   65.9991  H     
24   H        42.5970    0.7819   66.7622  H     
25   H        47.5523    1.7012   65.2532  H     
26   H        47.7341    0.4366   64.0179  H     
27   H        48.1235    2.2138   62.2865  H     
28   H        49.3255    2.3142   63.5927  H     
29   H        47.9681    3.4635   63.5392  H     
30   H        39.4657    3.2817   63.4979  H     
31   H        37.8925    4.2416   61.9527  H     
32   H        38.4749    4.5625   59.6398  H     
33   H        42.2369    2.7891   60.3688  H     
34   H        44.9434    3.7122   62.9006  H     
35   H        43.6319    4.1186   61.8077  H     
36   H        44.6533    2.6762   61.4817  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   15   19 am
    20   17   18 1
    21   19   20 2
    22   19   21 1
    23    5   22 1
    24    5   23 1
    25    5   24 1
    26    9   25 1
    27    9   26 1
    28   10   27 1
    29   10   28 1
    30   10   29 1
    31   12   30 1
    32   13   31 1
    33   14   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5284
  Crash		| -0.7617
  Polar		| 4.0069
  FragIndex	| 1
  FragRMSD	| 0.661