@<TRIPOS>MOLECULE
BindingDB_50216509
 37 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.4118   13.8744  114.0850  C     
2    C        19.2538   14.2006  112.7148  C     
3    C        18.2907   13.5417  111.9110  C     
4    C        17.4616   12.5754  112.5344  C     
5    C        17.6058   12.2462  113.8998  C     
6    C        18.5958   12.8904  114.6689  C     
7    C        18.0914   13.8325  110.4521  C     
8    N        16.7488   14.2326  110.2826  N     
9    C        16.4077   15.3689  109.7681  C     
10   N        17.3118   16.2069  109.3518  N     
11   C        18.5998   15.9478  109.3261  C     
12   C        19.0724   14.7612  109.8056  C     
13   S        14.7634   15.7378  109.5482  S     
14   C        20.3806   14.3842  109.6985  C     
15   O        20.9549   14.0504  110.7341  O     
16   O        16.8040   11.3320  114.4990  O     
17   C        19.4074   17.0284  108.7613  C     
18   N        21.0106   14.3822  108.5250  N     
19   C        22.4043   14.0954  108.3032  C     
20   C        23.0064   15.0461  107.2465  C     
21   H        20.1108   14.3546  114.6508  H     
22   H        19.8768   14.9025  112.3122  H     
23   H        16.7314   12.1046  111.9961  H     
24   H        18.7031   12.6611  115.6608  H     
25   H        18.1860   12.8847  109.9045  H     
26   H        16.0787   13.6490  110.5578  H     
27   H        17.0222   17.0252  109.0087  H     
28   H        16.0401   11.2047  113.9007  H     
29   H        19.1284   17.1697  107.7151  H     
30   H        20.4804   16.8376  108.7977  H     
31   H        19.2196   17.9544  109.3119  H     
32   H        20.4869   14.5896  107.7300  H     
33   H        23.0027   14.1789  109.2114  H     
34   H        22.4890   13.0697  107.9393  H     
35   H        22.5112   14.9125  106.2840  H     
36   H        24.0754   14.8308  107.1210  H     
37   H        22.9014   16.0838  107.5672  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    5   16 1
     9    7    8 1
    10    7   12 1
    11    8    9 1
    12    9   10 1
    13    9   13 2
    14   10   11 1
    15   11   12 2
    16   11   17 1
    17   12   14 1
    18   14   15 2
    19   14   18 am
    20   18   19 1
    21   19   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    6   24 1
    26    7   25 1
    27    8   26 1
    28   10   27 1
    29   16   28 1
    30   17   29 1
    31   17   30 1
    32   17   31 1
    33   18   32 1
    34   19   33 1
    35   19   34 1
    36   20   35 1
    37   20   36 1
    38   20   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8923
  Crash		| -1.5757
  Polar		| 1.1650
  FragIndex	| 1
  FragRMSD	| 0.493