@<TRIPOS>MOLECULE
BindingDB_30196
 38 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.6278   64.8189  191.5502  C     
2    C        30.3445   64.7484  192.7706  C     
3    N        31.2014   65.7658  193.0467  N     
4    C        31.3989   66.8448  192.2491  C     
5    C        30.6789   66.9566  191.0516  C     
6    C        29.7794   65.9265  190.6777  C     
7    C        29.0588   65.9851  189.4546  C     
8    C        27.6340   65.4067  187.8816  C     
9    N        28.0991   65.1078  189.1012  N     
10   C        29.2047   66.8889  188.3998  C     
11   C        26.4696   65.2291  185.6663  C     
12   C        26.5764   64.7160  187.1362  C     
13   C        28.3207   66.5131  187.4016  C     
14   C        28.0914   67.0080  186.1358  C     
15   N        27.2102   66.4179  185.3384  N     
16   O        28.7457   67.9478  185.6970  O     
17   C        30.2275   63.6622  193.6894  C     
18   C        31.2259   62.2794  195.4694  C     
19   C        30.0640   61.4847  195.5333  C     
20   C        28.9795   61.7802  194.6854  C     
21   C        29.0661   62.8520  193.7759  C     
22   C        31.2962   63.3592  194.5660  C     
23   C        30.0012   60.4937  196.3786  C     
24   N        29.9484   59.6224  197.1276  N     
25   H        29.0181   64.0429  191.2821  H     
26   H        32.0660   67.5676  192.5216  H     
27   H        30.8245   67.7794  190.4677  H     
28   H        27.7978   64.3583  189.6327  H     
29   H        29.8605   67.6718  188.3411  H     
30   H        26.8368   64.4426  185.0051  H     
31   H        25.4202   65.4105  185.4278  H     
32   H        26.7902   63.6412  187.1372  H     
33   H        25.6304   64.8768  187.6567  H     
34   H        27.1069   66.7746  184.4405  H     
35   H        32.0311   62.0828  196.0718  H     
36   H        28.1207   61.2254  194.7214  H     
37   H        28.2538   63.0406  193.1844  H     
38   H        32.1629   63.9056  194.5398  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27   23   24 3
    28    1   25 1
    29    4   26 1
    30    5   27 1
    31    9   28 1
    32   10   29 1
    33   11   30 1
    34   11   31 1
    35   12   32 1
    36   12   33 1
    37   15   34 1
    38   18   35 1
    39   20   36 1
    40   21   37 1
    41   22   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0526
  Crash		| -1.6253
  Polar		| 2.0137
  FragIndex	| 1
  FragRMSD	| 0.508