@<TRIPOS>MOLECULE
BindingDB_24122
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.2206   80.1672   47.0262  C     
2    C        23.4298   80.1761   45.8712  C     
3    C        22.2756   80.9827   45.7803  C     
4    C        21.8673   81.7492   46.9184  C     
5    C        23.8927   80.9812   48.1285  C     
6    C        22.6772   81.7307   48.1005  C     
7    C        24.8246   81.1526   49.2945  C     
8    C        22.2880   82.4921   49.3409  C     
9    C        23.9686   81.2056   50.5943  C     
10   N        23.1554   82.3976   50.5134  N     
11   C        20.6219   82.5731   46.8252  C     
12   C        21.5916   80.9812   44.4503  C     
13   C        26.0591   80.3059   49.3987  C     
14   C        28.5835   79.0190   49.7115  C     
15   C        28.3511   79.8630   48.6071  C     
16   C        27.1035   80.4975   48.4537  C     
17   C        26.2901   79.3909   50.4686  C     
18   C        27.5467   78.7837   50.6362  C     
19   C        23.2872   83.3942   51.4027  C     
20   O        24.1592   83.3656   52.2675  O     
21   N        22.4972   84.4622   51.3732  N     
22   C        22.6458   85.6389   52.1608  C     
23   H        25.0695   79.5995   47.0248  H     
24   H        23.7322   79.6093   45.0720  H     
25   H        25.2065   82.1742   49.1776  H     
26   H        22.2287   83.5343   49.0217  H     
27   H        21.2967   82.1582   49.6577  H     
28   H        23.3142   80.3286   50.6609  H     
29   H        24.6206   81.1742   51.4733  H     
30   H        20.7438   83.3109   46.0291  H     
31   H        20.3605   83.1184   47.7284  H     
32   H        19.7723   81.9291   46.5933  H     
33   H        22.2700   81.3679   43.6861  H     
34   H        20.6872   81.5897   44.4165  H     
35   H        21.3034   79.9649   44.1804  H     
36   H        29.5009   78.5941   49.8361  H     
37   H        29.0971   80.0402   47.9323  H     
38   H        26.9791   81.1432   47.6657  H     
39   H        25.5710   79.2124   51.1799  H     
40   H        27.7196   78.1946   51.4575  H     
41   H        21.7643   84.4449   50.7423  H     
42   H        22.6081   85.3866   53.2259  H     
43   H        21.8297   86.3312   51.9281  H     
44   H        23.5981   86.1254   51.9285  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 1
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   17   18 2
    22   19   20 2
    23   19   21 am
    24   21   22 1
    25    1   23 1
    26    2   24 1
    27    7   25 1
    28    8   26 1
    29    8   27 1
    30    9   28 1
    31    9   29 1
    32   11   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   12   35 1
    38   14   36 1
    39   15   37 1
    40   16   38 1
    41   17   39 1
    42   18   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   22   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3179
  Crash		| -1.4465
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.180