@<TRIPOS>MOLECULE
BindingDB_30197
 42 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       235.7295   82.8217  184.0689  C     
2    C       236.7170   83.7814  183.7381  C     
3    N       236.2832   84.9883  183.2751  N     
4    C       234.9785   85.3245  183.1312  C     
5    C       233.9810   84.3935  183.4609  C     
6    C       234.3440   83.1178  183.9484  C     
7    C       233.3792   82.1275  184.2975  C     
8    C       232.5736   80.2097  185.0580  C     
9    N       233.6793   80.9387  184.8658  N     
10   C       231.9887   82.1484  184.1217  C     
11   C       230.9864   78.3581  185.6985  C     
12   C       232.4687   78.8532  185.6149  C     
13   C       231.4872   80.9357  184.5858  C     
14   C       230.2175   80.4099  184.5927  C     
15   N       229.9887   79.2055  185.0967  N     
16   O       229.2874   81.0419  184.1101  O     
17   C       238.1147   83.5295  183.8470  C     
18   C       240.0259   82.3784  184.8878  C     
19   C       240.9378   83.0779  184.0682  C     
20   C       240.4195   83.9837  183.1101  C     
21   C       239.0362   84.2230  183.0223  C     
22   C       238.6450   82.5957  184.7734  C     
23   C       242.3212   82.8905  184.1828  C     
24   C       242.9898   82.8748  185.4733  C     
25   O       243.0274   82.9277  183.1771  O     
26   H       236.0205   81.8924  184.3670  H     
27   H       234.7247   86.2498  182.7755  H     
28   H       232.9959   84.6646  183.3470  H     
29   H       234.5661   80.6390  185.0945  H     
30   H       231.4322   82.9017  183.6998  H     
31   H       230.9153   77.3745  185.2275  H     
32   H       230.7115   78.2357  186.7486  H     
33   H       233.0513   78.1812  184.9823  H     
34   H       232.9165   78.8503  186.6097  H     
35   H       229.0796   78.8754  185.0837  H     
36   H       240.3615   81.6758  185.5535  H     
37   H       241.0447   84.5025  182.4905  H     
38   H       238.7070   84.8972  182.3256  H     
39   H       238.0306   82.0656  185.3945  H     
40   H       242.7536   83.7976  186.0210  H     
41   H       244.0843   82.8222  185.3622  H     
42   H       242.6819   82.0172  186.0844  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27   23   24 1
    28   23   25 2
    29    1   26 1
    30    4   27 1
    31    5   28 1
    32    9   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   12   33 1
    37   12   34 1
    38   15   35 1
    39   18   36 1
    40   20   37 1
    41   21   38 1
    42   22   39 1
    43   24   40 1
    44   24   41 1
    45   24   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7341
  Crash		| -0.5956
  Polar		| 2.4392
  FragIndex	| 1
  FragRMSD	| 0.811