@<TRIPOS>MOLECULE
BindingDB_18790
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.5922    1.2496   14.8909  C     
2    C        29.4775    1.5305   13.5175  C     
3    C        28.5266    2.4713   13.0568  C     
4    C        27.6773    3.1079   13.9900  C     
5    C        27.7995    2.8300   15.3643  C     
6    C        28.7614    1.9076   15.8146  C     
7    C        28.5195    2.8372   11.6856  C     
8    C        27.9169    2.0026   10.7111  C     
9    C        28.7743    3.3592    8.9672  C     
10   C        29.2104    3.9958   11.2271  C     
11   N        27.1842    0.9192   11.0289  N     
12   N        28.9419    3.5904    7.6553  N     
13   N        28.0663    2.2856    9.3919  N     
14   N        29.3133    4.1971    9.8848  N     
15   C        29.7724    5.0077   12.1701  C     
16   C        30.6200    6.1909   11.6093  C     
17   C        32.1088    6.2634   12.0763  C     
18   C        33.1781    6.1011   10.9497  C     
19   C        33.7226    4.6649   10.7376  C     
20   C        32.6606    3.5422   10.8016  C     
21   H        30.2932    0.5815   15.2191  H     
22   H        30.1129    1.0675   12.8616  H     
23   H        26.9873    3.7966   13.6793  H     
24   H        27.2006    3.3107   16.0390  H     
25   H        28.8633    1.7222   16.8138  H     
26   H        26.7767    0.3911   10.3261  H     
27   H        27.0187    0.6840   11.9551  H     
28   H        29.4907    4.3357    7.3520  H     
29   H        28.5498    2.9853    7.0042  H     
30   H        28.9083    5.4423   12.6782  H     
31   H        30.3535    4.4967   12.9394  H     
32   H        30.5748    6.2120   10.5180  H     
33   H        30.1368    7.1152   11.9469  H     
34   H        32.2572    7.2509   12.5207  H     
35   H        32.2900    5.5556   12.8884  H     
36   H        32.7954    6.4813   10.0014  H     
37   H        34.0403    6.7296   11.2048  H     
38   H        34.2006    4.6227    9.7534  H     
39   H        34.4968    4.4744   11.4840  H     
40   H        33.1317    2.5847   10.5775  H     
41   H        31.8800    3.7137   10.0563  H     
42   H        32.2196    3.4839   11.8001  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    5   24 1
    26    6   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   12   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   16   33 1
    35   17   34 1
    36   17   35 1
    37   18   36 1
    38   18   37 1
    39   19   38 1
    40   19   39 1
    41   20   40 1
    42   20   41 1
    43   20   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4975
  Crash		| -1.4087
  Polar		| 2.1330
  FragIndex	| 1
  FragRMSD	| 0.380