@<TRIPOS>MOLECULE
BindingDB_14795
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5298   45.1244   11.5996  C     
2    C        14.2812   45.3549   10.4454  C     
3    N        14.3836   44.8331   12.5912  N     
4    N        15.6072   44.8398   12.1564  N     
5    C        12.0749   45.2335   11.8091  C     
6    C        13.7977   45.8103    9.1942  C     
7    O        14.6567   46.2538    8.2488  O     
8    O        12.4621   45.9504    8.9866  O     
9    C        11.7731   46.5076    7.8599  C     
10   C        12.0502   45.7674    6.5359  C     
11   C        16.6654   44.6979   13.0206  C     
12   C        17.8264   45.4955   12.8884  C     
13   C        18.8881   45.3871   13.8048  C     
14   C        18.8224   44.4925   14.9019  C     
15   C        17.6439   43.7153   15.0440  C     
16   C        16.5831   43.8221   14.1262  C     
17   C        15.6077   45.1130   10.8265  C     
18   C        16.7825   45.1232    9.9239  C     
19   N        19.8523   44.3944   15.7929  N     
20   O        19.8227   43.6518   16.7416  O     
21   O        20.9417   45.1117   15.6844  O     
22   H        11.7456   46.2518   11.5959  H     
23   H        11.8135   44.9952   12.8424  H     
24   H        11.5517   44.5382   11.1512  H     
25   H        10.7055   46.4517    8.0755  H     
26   H        12.0401   47.5622    7.7577  H     
27   H        13.0911   45.9001    6.2370  H     
28   H        11.4086   46.1672    5.7471  H     
29   H        11.8445   44.7008    6.6512  H     
30   H        17.8983   46.1784   12.1278  H     
31   H        19.7093   45.9814   13.6653  H     
32   H        17.5431   43.0630   15.8259  H     
33   H        15.7459   43.2501   14.2676  H     
34   H        16.5769   44.5325    9.0307  H     
35   H        17.6628   44.6957   10.4078  H     
36   H        17.0039   46.1477    9.6263  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   14   19 am
    19   15   16 2
    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   15   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0548
  Crash		| -0.7042
  Polar		| 1.1574
  FragIndex	| 1
  FragRMSD	| 0.184