@<TRIPOS>MOLECULE
BindingDB_24121
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.1135   79.7769   47.1416  C     
2    C        23.3611   79.8148   45.9578  C     
3    C        22.6397   80.9745   45.6025  C     
4    C        22.6026   82.0778   46.5034  C     
5    C        24.0534   80.8313   48.0795  C     
6    C        23.2282   81.9508   47.7887  C     
7    C        24.6639   80.6251   49.4264  C     
8    C        22.8519   82.8663   48.9025  C     
9    C        24.5037   81.8168   50.4251  C     
10   N        23.2423   82.4906   50.2545  N     
11   C        21.9018   83.3436   46.1073  C     
12   C        21.9587   80.9689   44.2749  C     
13   C        26.0814   80.1409   49.3897  C     
14   C        28.8049   79.2379   49.4834  C     
15   C        28.3594   80.0735   48.4316  C     
16   C        27.0118   80.4939   48.3581  C     
17   C        26.5370   79.2997   50.4261  C     
18   C        27.8773   78.8803   50.4963  C     
19   C        22.5220   82.8995   51.3158  C     
20   O        22.8493   82.6246   52.4586  O     
21   N        21.4209   83.6322   51.2459  N     
22   H        24.6788   78.9466   47.3517  H     
23   H        23.3439   79.0118   45.3430  H     
24   H        24.0575   79.8364   49.8736  H     
25   H        23.2654   83.8677   48.6974  H     
26   H        21.7488   82.9150   48.8400  H     
27   H        24.6494   81.4378   51.4453  H     
28   H        25.2763   82.5759   50.3124  H     
29   H        22.3760   83.7267   45.1992  H     
30   H        21.9714   84.1366   46.8481  H     
31   H        20.8384   83.1484   45.9267  H     
32   H        22.6874   80.7798   43.4773  H     
33   H        21.4791   81.9253   44.0531  H     
34   H        21.1818   80.1952   44.2501  H     
35   H        29.7690   78.8773   49.5328  H     
36   H        29.0555   80.3614   47.7274  H     
37   H        26.6909   81.0536   47.5544  H     
38   H        25.8487   78.9368   51.1002  H     
39   H        28.1605   78.2761   51.2777  H     
40   H        20.9259   83.8678   52.0593  H     
41   H        21.0316   83.8735   50.3854  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    1   22 1
    25    2   23 1
    26    7   24 1
    27    8   25 1
    28    8   26 1
    29    9   27 1
    30    9   28 1
    31   11   29 1
    32   11   30 1
    33   11   31 1
    34   12   32 1
    35   12   33 1
    36   12   34 1
    37   14   35 1
    38   15   36 1
    39   16   37 1
    40   17   38 1
    41   18   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6293
  Crash		| -0.8147
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.091