@<TRIPOS>MOLECULE
BindingDB_18782
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.4343    1.5631   15.4561  C     
2    C        29.5262    1.4901   14.0528  C     
3    C        28.6148    2.1950   13.2400  C     
4    C        27.5650    2.9010   13.8551  C     
5    C        27.4987    2.9940   15.2553  C     
6    C        28.4524    2.3645   16.0974  C     
7    C        28.8118    2.3315   11.8425  C     
8    C        27.9882    1.6505   10.9102  C     
9    C        29.0433    2.7461    9.0992  C     
10   C        29.7658    3.2494   11.3190  C     
11   N        27.0637    0.7398   11.2544  N     
12   N        29.1617    2.9808    7.7844  N     
13   N        28.1270    1.8784    9.5824  N     
14   N        29.8336    3.4076    9.9723  N     
15   C        30.6550    4.1259   12.1336  C     
16   C        30.3571    5.6322   11.9376  C     
17   C        28.4222    2.6314   17.5925  C     
18   C        27.0302    2.2019   18.1743  C     
19   C        29.5123    1.8794   18.4298  C     
20   C        28.6695    4.1639   17.8122  C     
21   H        30.1345    1.0530   15.9913  H     
22   H        30.2900    0.9599   13.6258  H     
23   H        26.8834    3.4106   13.2859  H     
24   H        26.7666    3.5826   15.6534  H     
25   H        26.5732    0.2676   10.5644  H     
26   H        26.9336    0.4878   12.1771  H     
27   H        29.8310    3.6077    7.4689  H     
28   H        28.5851    2.5259    7.1483  H     
29   H        30.5664    3.8662   13.1907  H     
30   H        31.7000    3.9611   11.8588  H     
31   H        30.3740    5.8963   10.8760  H     
32   H        31.1131    6.2259   12.4599  H     
33   H        29.3805    5.8898   12.3485  H     
34   H        26.2269    2.8683   17.8503  H     
35   H        27.0371    2.2108   19.2658  H     
36   H        26.7757    1.1889   17.8540  H     
37   H        29.3859    0.7987   18.3487  H     
38   H        29.4390    2.1454   19.4892  H     
39   H        30.5181    2.1389   18.0985  H     
40   H        29.6067    4.4752   17.3439  H     
41   H        28.7434    4.4131   18.8720  H     
42   H        27.8623    4.7665   17.3929  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19   17   18 1
    20   17   19 1
    21   17   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    5   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   12   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
    38   19   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	| 4.5173
  Crash		| -2.2493
  Polar		| 2.7559
  FragIndex	| 1
  FragRMSD	| 1.069