@<TRIPOS>MOLECULE
BindingDB_50148310
 46 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        72.9851   -8.9169  134.4562  C     
2    N        73.6681   -9.3663  133.3856  N     
3    O        72.9128   -9.5940  135.6341  O     
4    O        72.3359   -7.7424  134.3090  O     
5    O        76.8121  -10.5927  133.1523  O     
6    C        72.3239   -9.2253  136.8985  C     
7    C        75.7439  -10.1940  132.7117  C     
8    C        70.9319   -8.5180  136.8331  C     
9    C        69.8069   -9.3582  136.3303  C     
10   C        74.4750  -10.5433  133.3278  C     
11   C        73.3711   -8.4686  137.7773  C     
12   C        68.7764   -9.7819  137.2047  C     
13   C        69.6995   -9.6837  134.9551  C     
14   C        73.7259  -11.6845  132.5859  C     
15   C        72.7550  -12.6724  130.4105  C     
16   C        73.6037  -11.5343  131.0436  C     
17   C        73.5910   -6.9633  137.4760  C     
18   C        72.2075  -12.2969  129.0143  C     
19   C        67.6718  -10.5079  136.7217  C     
20   C        68.5982  -10.4098  134.4699  C     
21   C        67.5798  -10.8138  135.3531  C     
22   H        73.5972   -8.8370  132.5743  H     
23   H        72.1579  -10.1758  137.4108  H     
24   H        75.7629   -9.5904  131.9244  H     
25   H        70.6986   -8.1660  137.8430  H     
26   H        71.0031   -7.6208  136.2142  H     
27   H        74.6726  -10.9024  134.3475  H     
28   H        73.0722   -8.5570  138.8246  H     
29   H        74.3349   -8.9762  137.6749  H     
30   H        68.8203   -9.5549  138.2002  H     
31   H        70.4129   -9.3767  134.2926  H     
32   H        74.2318  -12.6329  132.8148  H     
33   H        72.7189  -11.7494  133.0062  H     
34   H        73.3788  -13.5691  130.3155  H     
35   H        71.9128  -12.9071  131.0717  H     
36   H        73.1333  -10.5739  130.8203  H     
37   H        74.5966  -11.5516  130.5920  H     
38   H        74.0362   -6.8289  136.4841  H     
39   H        74.2675   -6.5352  138.2203  H     
40   H        72.6442   -6.4053  137.5244  H     
41   H        71.5599  -11.4168  129.0785  H     
42   H        71.6314  -13.1274  128.6163  H     
43   H        73.0354  -12.0804  128.3340  H     
44   H        66.9365  -10.8044  137.3654  H     
45   H        68.5321  -10.6384  133.4767  H     
46   H        66.7719  -11.3301  135.0016  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    4 2
     4    2   10 1
     5    3    6 1
     6    5    7 2
     7    6    8 1
     8    6   11 1
     9    7   10 1
    10    8    9 1
    11    9   12 1
    12    9   13 2
    13   10   14 1
    14   11   17 1
    15   12   19 2
    16   13   20 1
    17   14   16 1
    18   15   16 1
    19   15   18 1
    20   19   21 1
    21   20   21 2
    22    2   22 1
    23    6   23 1
    24    7   24 1
    25    8   25 1
    26    8   26 1
    27   10   27 1
    28   11   28 1
    29   11   29 1
    30   12   30 1
    31   13   31 1
    32   14   32 1
    33   14   33 1
    34   15   34 1
    35   15   35 1
    36   16   36 1
    37   16   37 1
    38   17   38 1
    39   17   39 1
    40   17   40 1
    41   18   41 1
    42   18   42 1
    43   18   43 1
    44   19   44 1
    45   20   45 1
    46   21   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2801
  Crash		| -1.4746
  Polar		| 1.1013
  FragIndex	| 1
  FragRMSD	| 1.202