@<TRIPOS>MOLECULE
BindingDB_14794
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.3135   48.1398  -12.1573  C     
2    C         1.2023   48.5744  -11.4290  C     
3    N         3.3987   48.3045  -11.3916  N     
4    N         3.0602   48.7940  -10.2377  N     
5    C         2.3706   47.5744  -13.5167  C     
6    C        -0.1512   48.6375  -11.8753  C     
7    O        -0.4474   48.5007  -13.1987  O     
8    O        -1.1579   48.8524  -10.9882  O     
9    C        -2.5642   48.8805  -11.2492  C     
10   C        -3.2585   49.8134  -10.2375  C     
11   C         3.9989   49.1104   -9.3012  C     
12   C         4.5782   50.3897   -9.2794  C     
13   C         5.5798   50.6994   -8.3436  C     
14   C         6.0099   49.7445   -7.3955  C     
15   C         5.4351   48.4588   -7.4278  C     
16   C         4.4269   48.1488   -8.3703  C     
17   C         1.7198   48.9671  -10.1909  C     
18   C         0.9436   49.4761   -9.0417  C     
19   O         7.0410   50.0787   -6.5530  O     
20   C         6.9945   49.5953   -5.1876  C     
21   H         1.8170   46.6285  -13.5403  H     
22   H         3.4072   47.3883  -13.8119  H     
23   H         1.9265   48.2760  -14.2303  H     
24   H        -2.7709   49.2401  -12.2570  H     
25   H        -2.9631   47.8758  -11.1427  H     
26   H        -3.0302   49.5056   -9.2090  H     
27   H        -4.3422   49.7893  -10.3769  H     
28   H        -2.9123   50.8471  -10.3776  H     
29   H         4.2929   51.0967   -9.9707  H     
30   H         6.0042   51.6306   -8.3571  H     
31   H         5.7578   47.7441   -6.7698  H     
32   H         4.0190   47.2083   -8.3871  H     
33   H         0.3575   50.3504   -9.3408  H     
34   H         1.5825   49.7642   -8.2133  H     
35   H         0.2570   48.6999   -8.6861  H     
36   H         6.0562   49.8651   -4.7040  H     
37   H         7.8178   50.0491   -4.6563  H     
38   H         7.1312   48.5061   -5.1515  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 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22    5   21 1
    23    5   22 1
    24    5   23 1
    25    9   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   10   28 1
    30   12   29 1
    31   13   30 1
    32   15   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   18   35 1
    37   20   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2763
  Crash		| -0.3900
  Polar		| 1.1178
  FragIndex	| 1
  FragRMSD	| 0.188