@<TRIPOS>MOLECULE
BindingDB_50148298
 49 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        72.7824   -8.8716  134.3600  C     
2    O        72.7058   -9.4533  135.5909  O     
3    C        72.0331   -9.0301  136.8030  C     
4    N        73.5381   -9.3428  133.3482  N     
5    O        72.0749   -7.7589  134.0826  O     
6    C        70.6137   -8.3898  136.6071  C     
7    O        76.7322  -10.5881  133.2212  O     
8    C        73.0243   -8.1902  137.6886  C     
9    C        75.6863  -10.1410  132.7744  C     
10   C        69.5508   -9.3274  136.1363  C     
11   C        74.4039  -10.4876  133.3692  C     
12   C        73.6749   -6.9791  136.9649  C     
13   C        72.4259   -7.7300  139.0506  C     
14   C        68.5971   -9.8527  137.0457  C     
15   C        69.4202   -9.6612  134.7660  C     
16   C        73.7132  -11.6728  132.6290  C     
17   C        72.7077  -12.6297  130.4607  C     
18   C        73.5520  -11.4968  131.0946  C     
19   C        72.0138  -12.1974  129.1498  C     
20   C        68.3727  -10.4905  134.3193  C     
21   C        67.5371  -10.6660  136.6002  C     
22   C        67.4239  -10.9833  135.2333  C     
23   H        71.8686   -9.9601  137.3582  H     
24   H        73.4565   -8.8751  132.5025  H     
25   H        70.2881   -7.9684  137.5609  H     
26   H        70.6575   -7.5464  135.9163  H     
27   H        73.8489   -8.8665  137.9433  H     
28   H        75.7624   -9.3649  132.1580  H     
29   H        74.5735  -10.7916  134.4082  H     
30   H        74.3445   -7.3269  136.1773  H     
31   H        74.2769   -6.3855  137.6574  H     
32   H        72.9150   -6.3290  136.5254  H     
33   H        71.7669   -6.8676  138.9215  H     
34   H        73.2301   -7.4374  139.7351  H     
35   H        71.8619   -8.5377  139.5189  H     
36   H        68.6609   -9.6417  138.0457  H     
37   H        70.0806   -9.2966  134.0770  H     
38   H        74.2787  -12.5865  132.8291  H     
39   H        72.7193  -11.8113  133.0655  H     
40   H        73.3551  -13.4869  130.2529  H     
41   H        71.9410  -12.9467  131.1736  H     
42   H        73.0610  -10.5399  130.8891  H     
43   H        74.5423  -11.4840  130.6297  H     
44   H        71.3514  -11.3481  129.3271  H     
45   H        71.4207  -13.0261  128.7596  H     
46   H        72.7567  -11.9178  128.3987  H     
47   H        68.3021  -10.7392  133.3284  H     
48   H        66.8576  -11.0365  137.2711  H     
49   H        66.6584  -11.5790  134.9108  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 am
     3    1    5 2
     4    2    3 1
     5    3    6 1
     6    3    8 1
     7    4   11 1
     8    6   10 1
     9    7    9 2
    10    8   12 1
    11    8   13 1
    12    9   11 1
    13   10   14 1
    14   10   15 2
    15   11   16 1
    16   14   21 2
    17   15   20 1
    18   16   18 1
    19   17   18 1
    20   17   19 1
    21   20   22 2
    22   21   22 1
    23    3   23 1
    24    4   24 1
    25    6   25 1
    26    6   26 1
    27    8   27 1
    28    9   28 1
    29   11   29 1
    30   12   30 1
    31   12   31 1
    32   12   32 1
    33   13   33 1
    34   13   34 1
    35   13   35 1
    36   14   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   18   42 1
    43   18   43 1
    44   19   44 1
    45   19   45 1
    46   19   46 1
    47   20   47 1
    48   21   48 1
    49   22   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.1065
  Crash		| -1.3376
  Polar		| 1.0915
  FragIndex	| 1
  FragRMSD	| 1.377