@<TRIPOS>MOLECULE
BindingDB_5590
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        39.1553  135.0671   30.7134  C     
2    C        37.0500  136.0406   31.2558  C     
3    C        38.2868  136.9306   29.4316  C     
4    C        39.3138  135.9822   29.6480  C     
5    N        38.0385  135.1363   31.4809  N     
6    N        37.1970  136.9317   30.2422  N     
7    O        40.1354  134.2134   31.1471  O     
8    N        38.3587  137.8659   28.4639  N     
9    N        35.9548  136.1537   32.0335  N     
10   C        40.8088  133.3794   30.1833  C     
11   C        40.1239  132.0041   29.8282  C     
12   C        41.0847  130.7868   30.0262  C     
13   C        41.2936  130.4285   31.5227  C     
14   C        39.9469  130.1670   32.2474  C     
15   C        38.9223  131.3148   32.0348  C     
16   C        38.7665  131.6933   30.5387  C     
17   C        35.5634  135.3598   33.0638  C     
18   C        34.8153  133.1998   33.9446  C     
19   C        34.4463  133.8087   35.1668  C     
20   C        34.6581  135.1921   35.3271  C     
21   C        35.1946  135.9611   34.2809  C     
22   C        35.3813  133.9653   32.9056  C     
23   N        32.4533  133.7066   37.1963  N     
24   S        33.7230  132.8959   36.4636  S     
25   O        33.2936  131.4142   36.0691  O     
26   O        34.8393  132.8043   37.5946  O     
27   H        40.1606  135.9797   29.0758  H     
28   H        37.6439  138.5201   28.3667  H     
29   H        39.1319  137.9141   27.8779  H     
30   H        35.4073  136.9458   31.8798  H     
31   H        41.0202  133.9489   29.2666  H     
32   H        41.7878  133.1953   30.6332  H     
33   H        39.8975  132.0523   28.7562  H     
34   H        40.6701  129.9139   29.5136  H     
35   H        42.0528  130.9961   29.5657  H     
36   H        41.9182  129.5351   31.5947  H     
37   H        41.8222  131.2393   32.0285  H     
38   H        39.5211  129.2297   31.8753  H     
39   H        40.1321  130.0463   33.3186  H     
40   H        37.9515  130.9967   32.4238  H     
41   H        39.2334  132.1955   32.5997  H     
42   H        38.0862  132.5396   30.4459  H     
43   H        38.2846  130.8556   30.0235  H     
44   H        34.6689  132.1949   33.8029  H     
45   H        34.4172  135.6524   36.2080  H     
46   H        35.3244  136.9685   34.4165  H     
47   H        35.6176  133.5108   32.0220  H     
48   H        32.4276  133.7764   38.1642  H     
49   H        31.9330  134.3388   36.6720  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    5 1
     5    2    6 2
     6    2    9 1
     7    3    4 2
     8    3    6 1
     9    3    8 1
    10    7   10 1
    11    9   17 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   13   14 1
    17   14   15 1
    18   15   16 1
    19   17   21 2
    20   17   22 1
    21   18   19 1
    22   18   22 2
    23   19   20 2
    24   19   24 1
    25   20   21 1
    26   23   24 am
    27   24   25 2
    28   24   26 2
    29    4   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33   10   31 1
    34   10   32 1
    35   11   33 1
    36   12   34 1
    37   12   35 1
    38   13   36 1
    39   13   37 1
    40   14   38 1
    41   14   39 1
    42   15   40 1
    43   15   41 1
    44   16   42 1
    45   16   43 1
    46   18   44 1
    47   20   45 1
    48   21   46 1
    49   22   47 1
    50   23   48 1
    51   23   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6046
  Crash		| -0.7735
  Polar		| 2.1236
  FragIndex	| 1
  FragRMSD	| 1.025