@<TRIPOS>MOLECULE
BindingDB_50204724
 55 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.4277    9.2785  -20.4391  C     
2    C         0.6018    8.2416  -19.4849  C     
3    C        -0.4240    8.0241  -18.5196  C     
4    C        -0.7859    9.9840  -20.5289  C     
5    C        -1.8118    9.6709  -19.6251  C     
6    C        -1.6413    8.7473  -18.5897  C     
7    C        -2.8799    8.6611  -17.7683  C     
8    C        -3.1130   10.1205  -19.5727  C     
9    C        -3.7843    9.5643  -18.5166  C     
10   C        -5.0871   10.0799  -18.5967  C     
11   N        -5.1083   10.8572  -19.7050  N     
12   N        -3.9496   10.8893  -20.2739  N     
13   C        -6.2289    9.9159  -17.7619  C     
14   C        -7.4195   10.6559  -18.0040  C     
15   C        -8.5455   10.5397  -17.1660  C     
16   C        -8.5158    9.6624  -16.0690  C     
17   C        -7.3538    8.9143  -15.8100  C     
18   C        -6.2245    9.0416  -16.6459  C     
19   C         1.8636    7.4427  -19.5222  C     
20   N         1.6709    5.9799  -19.5514  N     
21   C         2.4374    5.1156  -20.5022  C     
22   C         3.1101    5.7771  -21.7684  C     
23   C         3.7015    4.7717  -22.7954  C     
24   C         2.7076    3.6223  -23.1266  C     
25   C         2.2434    2.9241  -21.8176  C     
26   C         1.5108    3.9352  -20.9012  C     
27   C         3.3047    2.5852  -24.1188  C     
28   H         1.1792    9.5237  -21.0887  H     
29   H        -0.2873    7.3281  -17.7823  H     
30   H        -0.9255   10.7065  -21.2393  H     
31   H        -3.2693    7.6427  -17.7576  H     
32   H        -2.7208    9.0190  -16.7486  H     
33   H        -3.7366   11.3607  -21.0919  H     
34   H        -7.4902   11.3057  -18.7934  H     
35   H        -9.3874   11.0942  -17.3511  H     
36   H        -9.3336    9.5760  -15.4594  H     
37   H        -7.3305    8.2752  -15.0104  H     
38   H        -5.4027    8.4829  -16.4297  H     
39   H         2.4511    7.7627  -20.3893  H     
40   H         2.4521    7.6819  -18.6247  H     
41   H         1.8688    5.6422  -18.6010  H     
42   H         0.6785    5.8052  -19.7129  H     
43   H         3.2620    4.6746  -19.9211  H     
44   H         2.3918    6.3715  -22.3316  H     
45   H         3.8954    6.4634  -21.4385  H     
46   H         3.9388    5.3028  -23.7203  H     
47   H         4.6316    4.3495  -22.4024  H     
48   H         1.8297    4.0680  -23.6152  H     
49   H         1.5680    2.1004  -22.0529  H     
50   H         3.1051    2.5169  -21.2833  H     
51   H         1.1801    3.4045  -20.0044  H     
52   H         0.6202    4.3153  -21.4163  H     
53   H         3.5430    3.0677  -25.0694  H     
54   H         2.5756    1.7929  -24.3095  H     
55   H         4.2122    2.1380  -23.7080  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   19 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   10   13 1
    16   11   12 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   17   18 2
    23   19   20 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32    1   28 1
    33    3   29 1
    34    4   30 1
    35    7   31 1
    36    7   32 1
    37   12   33 1
    38   14   34 1
    39   15   35 1
    40   16   36 1
    41   17   37 1
    42   18   38 1
    43   19   39 1
    44   19   40 1
    45   20   41 1
    46   20   42 1
    47   21   43 1
    48   22   44 1
    49   22   45 1
    50   23   46 1
    51   23   47 1
    52   24   48 1
    53   25   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   27   54 1
    59   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0769
  Crash		| -1.1379
  Polar		| 1.2143
  FragIndex	| 1
  FragRMSD	| 0.678