@<TRIPOS>MOLECULE
BindingDB_5541
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.9508   45.1045   51.3079  C     
2    C         7.4913   43.4644   49.6389  C     
3    N         8.7697   43.9275   49.5691  N     
4    N         6.6205   44.0582   50.5042  N     
5    C         8.2755   45.5644   51.2506  C     
6    C         9.1614   44.9529   50.3637  C     
7    C        10.1787   46.5413   51.4324  C     
8    N         8.9174   46.5408   51.9070  N     
9    N        10.3331   45.5805   50.5066  N     
10   O         6.0745   45.6422   52.2122  O     
11   N         7.1180   42.4482   48.8208  N     
12   C         4.7511   45.9321   51.7101  C     
13   C         3.7769   46.3013   52.8646  C     
14   C         1.3978   45.7048   54.6308  C     
15   C         1.2948   46.7133   53.4591  C     
16   C         2.3124   46.3960   52.3322  C     
17   C         3.8623   45.2938   54.0546  C     
18   C         2.8438   45.6188   55.1790  C     
19   C         5.9145   41.8022   48.7899  C     
20   C         3.9378   40.8093   49.8556  C     
21   C         3.4479   40.4199   48.5953  C     
22   C         4.1993   40.6967   47.4387  C     
23   C         5.4297   41.3691   47.5387  C     
24   C         5.1704   41.4819   49.9554  C     
25   O         2.2706   39.7564   48.5027  O     
26   H        10.9021   47.1902   51.7327  H     
27   H        11.1526   45.3873   50.0233  H     
28   H         7.7638   42.1826   48.1463  H     
29   H         4.8165   46.7723   51.0138  H     
30   H         4.3411   45.0706   51.1739  H     
31   H         4.0672   47.2892   53.2402  H     
32   H         0.7238   46.0153   55.4340  H     
33   H         1.0795   44.7151   54.2892  H     
34   H         0.2823   46.6901   53.0507  H     
35   H         1.4834   47.7212   53.8332  H     
36   H         2.2458   47.1763   51.5682  H     
37   H         2.0276   45.4479   51.8656  H     
38   H         3.6804   44.2797   53.6883  H     
39   H         4.8656   45.3174   54.4875  H     
40   H         3.1102   46.5721   55.6465  H     
41   H         2.8943   44.8415   55.9462  H     
42   H         3.4115   40.5820   50.7053  H     
43   H         3.8570   40.3999   46.5190  H     
44   H         5.9590   41.5670   46.6857  H     
45   H         5.5302   41.7209   50.8825  H     
46   H         2.5172   38.8064   48.4847  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   21   25 1
    28   22   23 2
    29    7   26 1
    30    9   27 1
    31   11   28 1
    32   12   29 1
    33   12   30 1
    34   13   31 1
    35   14   32 1
    36   14   33 1
    37   15   34 1
    38   15   35 1
    39   16   36 1
    40   16   37 1
    41   17   38 1
    42   17   39 1
    43   18   40 1
    44   18   41 1
    45   20   42 1
    46   22   43 1
    47   23   44 1
    48   24   45 1
    49   25   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5260
  Crash		| -0.4980
  Polar		| 2.8532
  FragIndex	| 1
  FragRMSD	| 0.194