@<TRIPOS>MOLECULE
BindingDB_50131563
 47 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.0498   30.2651   17.3945  C     
2    O        15.0099   31.2604   17.4993  O     
3    C        16.4549   29.6078   18.7705  C     
4    C        16.3302   31.7602   17.2362  C     
5    C        17.6450   28.5679   18.6377  C     
6    C        15.2108   28.9860   19.5053  C     
7    C        16.4165   32.5440   15.9074  C     
8    C        17.6676   32.2254   15.2369  C     
9    C        15.5972   28.3725   20.8966  C     
10   C        18.0191   28.0536   20.0748  C     
11   C        18.7508   33.0280   15.0728  C     
12   C        18.8229   29.1155   17.9762  C     
13   C        16.8131   27.4153   20.8086  C     
14   C        15.9031   29.3804   16.1252  C     
15   O        19.9166   28.5386   18.0179  O     
16   O        17.1882   27.4560   17.8453  O     
17   O        14.1962   30.0089   19.6532  O     
18   O        15.8414   29.4032   21.8577  O     
19   C        19.9193   32.4735   14.3920  C     
20   C        18.7834   34.4086   15.5590  C     
21   C        12.8896   29.5968   20.0925  C     
22   H        16.8025   30.4170   19.4299  H     
23   H        16.7224   32.2867   18.1119  H     
24   H        14.8231   28.1740   18.8792  H     
25   H        15.5908   32.3039   15.2405  H     
26   H        16.3210   33.6045   16.1382  H     
27   H        17.7264   31.2911   14.8827  H     
28   H        14.7520   27.7871   21.2726  H     
29   H        18.8013   27.2891   20.0066  H     
30   H        18.4030   28.8788   20.6906  H     
31   H        18.7926   30.0244   17.5722  H     
32   H        17.1199   27.1119   21.8195  H     
33   H        16.5142   26.5038   20.2790  H     
34   H        15.3034   28.4955   16.3489  H     
35   H        16.8863   29.0655   15.7742  H     
36   H        15.4138   29.9127   15.3132  H     
37   H        17.5165   26.6467   18.2911  H     
38   H        16.6231   29.9044   21.5377  H     
39   H        20.2785   31.5895   14.9236  H     
40   H        20.7527   33.1767   14.3288  H     
41   H        19.6529   32.1857   13.3727  H     
42   H        18.0005   34.9916   15.0676  H     
43   H        19.7345   34.9078   15.3597  H     
44   H        18.6221   34.4294   16.6401  H     
45   H        12.5255   28.7376   19.5248  H     
46   H        12.2002   30.4233   19.9345  H     
47   H        12.8975   29.3527   21.1561  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 1
     4    1   14 1
     5    4    2 1
     6    3    5 1
     7    3    6 1
     8    4    7 1
     9    5   10 1
    10    5   12 1
    11    5   16 1
    12    6    9 1
    13    6   17 1
    14    7    8 1
    15    8   11 2
    16    9   13 1
    17    9   18 1
    18   10   13 1
    19   11   19 1
    20   11   20 1
    21   12   15 2
    22   17   21 1
    23    3   22 1
    24    4   23 1
    25    6   24 1
    26    7   25 1
    27    7   26 1
    28    8   27 1
    29    9   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   13   33 1
    35   14   34 1
    36   14   35 1
    37   14   36 1
    38   16   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   19   41 1
    43   20   42 1
    44   20   43 1
    45   20   44 1
    46   21   45 1
    47   21   46 1
    48   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8064
  Crash		| -1.0225
  Polar		| 1.2338
  FragIndex	| 1
  FragRMSD	| 0.145