@<TRIPOS>MOLECULE
BindingDB_19801
 54 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.8697   39.1660   72.7455  C     
2    O        15.4097   39.9995   73.6648  O     
3    N        13.5193   39.0820   72.7127  N     
4    C        12.7267   38.3135   71.7889  C     
5    C        11.6917   37.4304   72.5655  C     
6    C        12.1655   36.6894   73.8614  C     
7    C        13.4221   35.8009   73.6194  C     
8    C        12.3578   37.6141   75.1003  C     
9    C        12.0518   39.1864   70.8241  C     
10   O        12.0704   40.4078   70.9649  O     
11   N        11.3908   38.6296   69.8109  N     
12   O        15.6751   38.4390   71.9194  O     
13   C        17.1080   38.4804   71.8120  C     
14   C        17.8328   37.3107   72.3803  C     
15   C        19.1597   37.4910   72.8429  C     
16   C        19.8848   36.4125   73.3801  C     
17   C        19.3010   35.1328   73.4515  C     
18   C        17.9779   34.9431   73.0096  C     
19   C        17.2405   36.0281   72.4983  C     
20   C        10.6255   39.2908   68.7921  C     
21   C        11.4897   40.0035   67.8546  C     
22   C         9.7865   38.2397   68.0019  C     
23   C        10.6099   37.3409   67.0223  C     
24   C        12.2629   39.3037   66.8357  C     
25   O        11.4410   41.2269   67.8093  O     
26   C        12.0991   37.7599   66.8809  C     
27   H        13.0285   39.6202   73.3602  H     
28   H        13.3645   37.6435   71.2006  H     
29   H        10.8183   38.0506   72.8132  H     
30   H        11.3395   36.6572   71.8693  H     
31   H        11.3389   36.0104   74.1221  H     
32   H        13.1969   35.0300   72.8746  H     
33   H        13.7023   35.2978   74.5482  H     
34   H        14.2731   36.4106   73.2739  H     
35   H        13.3033   38.1596   75.0750  H     
36   H        12.3447   37.0013   76.0069  H     
37   H        11.5373   38.3358   75.1710  H     
38   H        11.4025   37.6633   69.7758  H     
39   H        17.3151   38.5183   70.7441  H     
40   H        17.5145   39.3934   72.2561  H     
41   H        19.6091   38.4050   72.7800  H     
42   H        20.8423   36.5506   73.7172  H     
43   H        19.8317   34.3412   73.8280  H     
44   H        17.5426   34.0262   73.0819  H     
45   H        16.2654   35.8592   72.2294  H     
46   H         9.9273   39.9848   69.2822  H     
47   H         9.2461   37.6015   68.7059  H     
48   H         9.0275   38.7813   67.4258  H     
49   H        10.5675   36.3005   67.3506  H     
50   H        10.1460   37.3837   66.0339  H     
51   H        11.9376   39.6536   65.8533  H     
52   H        13.3193   39.5560   66.9508  H     
53   H        12.6674   37.3660   67.7291  H     
54   H        12.5225   37.3187   65.9760  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 am
     3    1   12 1
     4    3    4 1
     5    4    5 1
     6    4    9 1
     7    5    6 1
     8    6    7 1
     9    6    8 1
    10    9   10 2
    11    9   11 am
    12   11   20 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   14   19 2
    17   15   16 2
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21   20   21 1
    22   20   22 1
    23   21   24 1
    24   21   25 2
    25   22   23 1
    26   23   26 1
    27   24   26 1
    28    3   27 1
    29    4   28 1
    30    5   29 1
    31    5   30 1
    32    6   31 1
    33    7   32 1
    34    7   33 1
    35    7   34 1
    36    8   35 1
    37    8   36 1
    38    8   37 1
    39   11   38 1
    40   13   39 1
    41   13   40 1
    42   15   41 1
    43   16   42 1
    44   17   43 1
    45   18   44 1
    46   19   45 1
    47   20   46 1
    48   22   47 1
    49   22   48 1
    50   23   49 1
    51   23   50 1
    52   24   51 1
    53   24   52 1
    54   26   53 1
    55   26   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9521
  Crash		| -0.8621
  Polar		| 2.2066
  FragIndex	| 1
  FragRMSD	| 1.274