@<TRIPOS>MOLECULE
BindingDB_15274
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5506   13.6992    0.5915  C     
2    O         1.3359   14.3106    1.3014  O     
3    N         0.7762   13.5138   -0.7086  N     
4    N        -0.5234   13.2806    1.2407  N     
5    C         1.7923   13.9176   -1.5476  C     
6    C         2.9089   14.7176   -1.1867  C     
7    C         1.6848   13.5142   -2.9049  C     
8    C         3.9162   15.0528   -2.1161  C     
9    C         2.6188   13.9599   -3.8598  C     
10   C         3.7820   14.6725   -3.4878  C     
11   Cl        5.1381   16.0779   -1.5076  Cl    
12   N        -1.6149   11.8942   -0.4040  N     
13   N        -3.8040   11.7380    1.1529  N     
14   C        -1.5850   12.5488    0.7898  C     
15   C        -3.8246   11.1079   -0.0511  C     
16   C        -2.7335   12.4465    1.6017  C     
17   C        -2.6770   11.1794   -0.8646  C     
18   O        -2.5908   10.5723   -2.0913  O     
19   O         0.7263   12.6157   -3.2905  O     
20   C         1.2683   11.3153   -3.6399  C     
21   C        -2.0005   10.9621   -4.5064  C     
22   C        -2.5776   11.5181   -3.1806  C     
23   C         0.2837   10.1552   -3.3725  C     
24   C        -0.8699    9.9066   -4.3809  C     
25   C        -4.9035   10.5046   -0.4279  C     
26   N        -5.8686    9.9777   -0.7753  N     
27   N         4.6471   14.8813   -4.5221  N     
28   C         6.0776   14.8436   -4.5150  C     
29   C         6.6738   16.0720   -5.1052  C     
30   N         7.0426   18.4641   -5.1124  N     
31   C         7.9375   18.3698   -6.1305  C     
32   C         8.2585   17.1121   -6.6708  C     
33   C         7.6245   15.9673   -6.1555  C     
34   C         6.4139   17.3708   -4.6024  C     
35   H         0.0765   13.0227   -1.1617  H     
36   H        -0.5884   13.5654    2.1639  H     
37   H         3.0059   15.0624   -0.2293  H     
38   H         2.4945   13.6774   -4.8287  H     
39   H        -2.7791   12.9036    2.5127  H     
40   H         1.5696   11.3007   -4.6908  H     
41   H         2.1575   11.0940   -3.0327  H     
42   H        -2.8174   10.5068   -5.0755  H     
43   H        -1.6322   11.8034   -5.1013  H     
44   H        -3.6143   11.8250   -3.3570  H     
45   H        -1.9943   12.4174   -2.9364  H     
46   H         0.8757    9.2346   -3.3795  H     
47   H        -0.1093   10.2730   -2.3598  H     
48   H        -1.3388    8.9630   -4.0921  H     
49   H        -0.4319    9.7562   -5.3724  H     
50   H         4.2133   14.9195   -5.4128  H     
51   H         6.4997   14.6632   -3.5254  H     
52   H         6.3422   13.9813   -5.1135  H     
53   H         8.3791   19.2157   -6.4890  H     
54   H         8.9486   17.0291   -7.4222  H     
55   H         7.8800   15.0485   -6.5397  H     
56   H         5.7522   17.5060   -3.8405  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32   29   33 1
    33   29   34 2
    34   30   31 2
    35   30   34 1
    36   31   32 1
    37   32   33 2
    38    3   35 1
    39    4   36 1
    40    6   37 1
    41    9   38 1
    42   16   39 1
    43   20   40 1
    44   20   41 1
    45   21   42 1
    46   21   43 1
    47   22   44 1
    48   22   45 1
    49   23   46 1
    50   23   47 1
    51   24   48 1
    52   24   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   31   53 1
    57   32   54 1
    58   33   55 1
    59   34   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8022
  Crash		| -2.9888
  Polar		| 5.0631
  FragIndex	| 1
  FragRMSD	| 0.721