@<TRIPOS>MOLECULE
BindingDB_24123
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.3104   80.0825   46.9906  C     
2    C        23.5319   80.0839   45.8275  C     
3    C        22.3778   80.8889   45.7180  C     
4    C        21.9466   81.6421   46.8539  C     
5    C        23.9644   80.8886   48.0946  C     
6    C        22.7393   81.6242   48.0502  C     
7    C        24.8793   81.0572   49.2777  C     
8    C        22.2996   82.3564   49.2899  C     
9    C        24.0009   81.1263   50.5612  C     
10   N        23.1773   82.3096   50.4525  N     
11   C        20.6843   82.4419   46.7474  C     
12   C        21.7053   80.8803   44.3836  C     
13   C        26.1277   80.2252   49.4076  C     
14   C        28.7089   79.0933   49.8008  C     
15   C        27.6859   78.8572   50.7339  C     
16   C        26.4005   79.3928   50.5236  C     
17   C        27.1674   80.4091   48.4608  C     
18   C        28.4394   79.8420   48.6464  C     
19   C        23.4375   83.4194   51.1755  C     
20   O        24.5618   83.5509   51.6505  O     
21   N        22.5607   84.4128   51.4000  N     
22   C        21.1553   84.1221   51.5798  C     
23   C        23.0223   85.7670   51.6260  C     
24   H        25.1572   79.5137   47.0005  H     
25   H        23.8427   79.5140   45.0348  H     
26   H        25.2665   82.0787   49.1669  H     
27   H        22.1623   83.3975   48.9843  H     
28   H        21.3359   81.9445   49.5998  H     
29   H        23.3632   80.2397   50.6413  H     
30   H        24.6254   81.1425   51.4601  H     
31   H        20.8113   83.2257   45.9981  H     
32   H        20.3657   82.9301   47.6645  H     
33   H        19.8613   81.7922   46.4488  H     
34   H        22.4238   81.1533   43.6072  H     
35   H        20.8690   81.5701   44.2986  H     
36   H        21.3264   79.8821   44.1688  H     
37   H        29.6501   78.7290   49.9618  H     
38   H        27.8838   78.3134   51.5769  H     
39   H        25.6838   79.2085   51.2287  H     
40   H        27.0215   81.0052   47.6441  H     
41   H        29.1781   80.0070   47.9598  H     
42   H        20.6118   84.2587   50.6436  H     
43   H        20.7053   84.7730   52.3349  H     
44   H        20.9942   83.0952   51.9253  H     
45   H        23.6410   85.8168   52.5245  H     
46   H        22.2037   86.4792   51.7491  H     
47   H        23.6146   86.1007   50.7706  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 am
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   17   18 2
    22   19   20 2
    23   19   21 am
    24   21   22 1
    25   21   23 1
    26    1   24 1
    27    2   25 1
    28    7   26 1
    29    8   27 1
    30    8   28 1
    31    9   29 1
    32    9   30 1
    33   11   31 1
    34   11   32 1
    35   11   33 1
    36   12   34 1
    37   12   35 1
    38   12   36 1
    39   14   37 1
    40   15   38 1
    41   16   39 1
    42   17   40 1
    43   18   41 1
    44   22   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   23   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9055
  Crash		| -1.5965
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.324