@<TRIPOS>MOLECULE
BindingDB_17140
 45 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.8866    9.3453   18.8528  C     
2    C         4.8947    9.5477   19.6657  C     
3    N         6.1079   10.0444   19.6387  N     
4    O         3.9986   10.0578   20.3157  O     
5    O         8.0811    9.5772   18.7434  O     
6    C         6.1519    8.3274   18.3121  C     
7    C         4.8659    8.4337   18.8723  C     
8    C         3.8711    7.4714   18.5714  C     
9    C         4.1895    6.4149   17.7020  C     
10   C         2.5408    7.2639   18.9465  C     
11   C         2.1088    6.1013   18.2911  C     
12   C         0.7764    5.6523   18.4328  C     
13   C        -0.1107    6.3696   19.2576  C     
14   C         0.3305    7.5221   19.9357  C     
15   C         1.6563    7.9740   19.7856  C     
16   C         5.4695    6.3328   17.1115  C     
17   C         6.4510    7.2931   17.3934  C     
18   N         5.9478    5.4079   16.2504  N     
19   N         3.1337    5.5826   17.5614  N     
20   C         5.1730    4.3141   15.7159  C     
21   C         4.1855    4.7658   14.6133  C     
22   C         2.7996    4.6791   15.2740  C     
23   C         3.1104    4.3829   16.7543  C     
24   O         4.3765    3.7039   16.7442  O     
25   C         7.5612    6.9363   16.6264  C     
26   C         7.2286    5.7560   15.9451  C     
27   C         8.1638    5.1438   15.0804  C     
28   C         8.8139    7.5467   16.4176  C     
29   C         9.7585    6.9216   15.5806  C     
30   C         9.4387    5.7197   14.9211  C     
31   H         6.3923   10.8208   20.1385  H     
32   H         0.4463    4.8222   17.9364  H     
33   H        -1.0767    6.0545   19.3631  H     
34   H        -0.3148    8.0337   20.5412  H     
35   H         1.9471    8.8111   20.2803  H     
36   H         5.8344    3.5366   15.3250  H     
37   H         4.3935    5.7857   14.2768  H     
38   H         4.2381    4.0970   13.7496  H     
39   H         2.2316    5.6054   15.1477  H     
40   H         2.2277    3.8543   14.8403  H     
41   H         2.3801    3.6769   17.1588  H     
42   H         7.9297    4.2902   14.5705  H     
43   H         9.0465    8.4384   16.8434  H     
44   H        10.6798    7.3480   15.4458  H     
45   H        10.1282    5.2732   14.3155  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 2
     3    1    6 1
     4    2    3 1
     5    2    4 2
     6    2    7 1
     7    6    7 1
     8    6   17 2
     9    7    8 2
    10    8    9 1
    11    8   10 1
    12    9   16 2
    13    9   19 1
    14   10   11 2
    15   10   15 1
    16   11   12 1
    17   11   19 1
    18   12   13 2
    19   13   14 1
    20   14   15 2
    21   16   17 1
    22   16   18 1
    23   17   25 1
    24   18   20 1
    25   18   26 1
    26   19   23 1
    27   20   21 1
    28   20   24 1
    29   21   22 1
    30   22   23 1
    31   23   24 1
    32   25   26 2
    33   25   28 1
    34   26   27 1
    35   27   30 2
    36   28   29 2
    37   29   30 1
    38    3   31 1
    39   12   32 1
    40   13   33 1
    41   14   34 1
    42   15   35 1
    43   20   36 1
    44   21   37 1
    45   21   38 1
    46   22   39 1
    47   22   40 1
    48   23   41 1
    49   27   42 1
    50   28   43 1
    51   29   44 1
    52   30   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0607
  Crash		| -0.3678
  Polar		| 1.9798
  FragIndex	| 1
  FragRMSD	| 0.178