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


@<TRIPOS>ATOM
1    C        29.3792    0.8777   15.3670  C     
2    C        29.4808    1.1763   13.9928  C     
3    C        28.5866    2.0925   13.3901  C     
4    C        27.5857    2.6942   14.1903  C     
5    C        27.5122    2.4230   15.5696  C     
6    C        28.4030    1.5090   16.1570  C     
7    C        28.6991    2.4198   12.0107  C     
8    C        27.9488    1.7192   11.0308  C     
9    C        28.8919    3.0209    9.2965  C     
10   C        29.5426    3.4712   11.5491  C     
11   N        27.1194    0.7024   11.3217  N     
12   N        29.0391    3.2889    7.9899  N     
13   N        28.0675    2.0349    9.7181  N     
14   N        29.6019    3.7169   10.2123  N     
15   C        30.3793    4.3451   12.4221  C     
16   C        29.5525    5.2428   13.3963  C     
17   C        29.7756    6.7746   13.2713  C     
18   C        29.0358    7.5608   14.3944  C     
19   C        28.9464    9.0937   14.1472  C     
20   C        27.6318    9.7228   14.6659  C     
21   H        30.0117    0.1942   15.7908  H     
22   H        30.2111    0.7216   13.4364  H     
23   H        26.9165    3.3511   13.7792  H     
24   H        26.8046    2.8882   16.1436  H     
25   H        28.3383    1.3027   17.1559  H     
26   H        26.6801    0.2120   10.6080  H     
27   H        26.9850    0.4217   12.2393  H     
28   H        29.6884    3.9549    7.7019  H     
29   H        28.5437    2.7791    7.3283  H     
30   H        31.0524    3.7069   13.0021  H     
31   H        31.0239    4.9768   11.8026  H     
32   H        28.4832    5.0649   13.2523  H     
33   H        29.8029    4.9478   14.4184  H     
34   H        30.8444    6.9977   13.3235  H     
35   H        29.3990    7.1007   12.2976  H     
36   H        28.0239    7.1596   14.4835  H     
37   H        29.5407    7.3832   15.3496  H     
38   H        29.7924    9.5874   14.6343  H     
39   H        29.0123    9.3001   13.0764  H     
40   H        26.7764    9.3184   14.1210  H     
41   H        27.6565   10.8010   14.5135  H     
42   H        27.5006    9.5229   15.7297  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	| 6.5258
  Crash		| -0.6656
  Polar		| 2.9460
  FragIndex	| 1
  FragRMSD	| 1.166