@<TRIPOS>MOLECULE
BindingDB_13437
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.3531    6.6919   15.1300  C     
2    C        39.1946    6.1977   14.4997  C     
3    C        37.9486    6.8300   14.6680  C     
4    C        37.8981    7.9891   15.4922  C     
5    N        36.8662    6.2795   14.0383  N     
6    O        34.3767    6.9711   15.0394  O     
7    S        35.4157    7.0599   13.7058  S     
8    O        35.6887    8.7005   13.4171  O     
9    O        34.6068    6.3798   12.3666  O     
10   C        39.0567    8.4941   16.1324  C     
11   C        40.2907    7.8362   15.9514  C     
12   C        38.9534    9.6796   17.0385  C     
13   C        41.4367    8.2425   16.7845  C     
14   C        41.4685    9.7679   17.1153  C     
15   N        40.1778   10.3077   17.5369  N     
16   C        42.0730   10.5429   16.0284  C     
17   O        43.2869   10.4760   15.8768  O     
18   N        41.3458   11.3356   15.2548  N     
19   C        41.8556   12.1597   14.2088  C     
20   C        40.0930   11.4384   18.2786  C     
21   O        38.9990   11.9119   18.5655  O     
22   C        41.2444   13.3071   19.4954  C     
23   N        41.1734   12.0963   18.7240  N     
24   C        42.3961   14.1962   19.1596  C     
25   C        42.8355   15.1625   20.1048  C     
26   C        43.8916   16.0427   19.7989  C     
27   C        44.5212   15.9831   18.5432  C     
28   C        44.0959   15.0409   17.5908  C     
29   C        43.0363   14.1606   17.8974  C     
30   H        41.2379    6.1997   15.0092  H     
31   H        39.2795    5.3516   13.9167  H     
32   H        37.0113    8.4487   15.6734  H     
33   H        37.0218    5.4329   13.5703  H     
34   H        38.3824   10.4453   16.4935  H     
35   H        38.3446    9.3755   17.9013  H     
36   H        41.3350    7.6934   17.7258  H     
37   H        42.3798    7.9241   16.3343  H     
38   H        42.1470    9.8294   17.9705  H     
39   H        40.3841   11.3705   15.3982  H     
40   H        42.5528   12.8960   14.6123  H     
41   H        41.0197   12.6756   13.7321  H     
42   H        42.3619   11.5395   13.4701  H     
43   H        40.3339   13.9034   19.3970  H     
44   H        41.3273   12.9950   20.5380  H     
45   H        42.0267   11.6924   18.5122  H     
46   H        42.3952   15.2292   21.0222  H     
47   H        44.2072   16.7293   20.4903  H     
48   H        45.2902   16.6232   18.3228  H     
49   H        44.5504   14.9968   16.6781  H     
50   H        42.7415   13.5006   17.1816  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 1
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   23 am
    24   22   23 1
    25   22   24 1
    26   24   25 2
    27   24   29 1
    28   25   26 1
    29   26   27 2
    30   27   28 1
    31   28   29 2
    32    1   30 1
    33    2   31 1
    34    4   32 1
    35    5   33 1
    36   12   34 1
    37   12   35 1
    38   13   36 1
    39   13   37 1
    40   14   38 1
    41   18   39 1
    42   19   40 1
    43   19   41 1
    44   19   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   25   46 1
    49   26   47 1
    50   27   48 1
    51   28   49 1
    52   29   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1807
  Crash		| -1.4928
  Polar		| 3.7760
  FragIndex	| 1
  FragRMSD	| 1.447