@<TRIPOS>MOLECULE
BindingDB_18791
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.2822   11.6320   36.8038  C     
2    C        90.2651   12.0117   35.4493  C     
3    C        89.1224   12.6215   34.8886  C     
4    C        87.9852   12.8235   35.6991  C     
5    C        87.9960   12.4258   37.0498  C     
6    C        89.1487   11.8425   37.6052  C     
7    C        89.1485   13.0420   33.5355  C     
8    C        88.4815   12.2984   32.5276  C     
9    C        89.4724   13.6291   30.8367  C     
10   C        89.8861   14.1831   33.1188  C     
11   N        87.6465   11.2809   32.8064  N     
12   N        89.6928   13.8662   29.5340  N     
13   N        88.6742   12.6027   31.2197  N     
14   N        90.0270   14.4187   31.7869  N     
15   C        90.3881   15.2381   34.0407  C     
16   C        91.6453   16.0023   33.5759  C     
17   C        92.9791   15.2363   33.7833  C     
18   C        93.8736   15.9792   34.7096  C     
19   C        94.8034   16.9148   34.1945  C     
20   C        95.5465   17.7353   35.0581  C     
21   C        95.3993   17.6094   36.4494  C     
22   C        94.5038   16.6645   36.9807  C     
23   C        93.7396   15.8548   36.1153  C     
24   H        91.1166   11.2044   37.2049  H     
25   H        91.0987   11.8454   34.8795  H     
26   H        87.1524   13.2743   35.3151  H     
27   H        87.1717   12.5711   37.6352  H     
28   H        89.1586   11.5676   38.5900  H     
29   H        87.1786   10.8298   32.0885  H     
30   H        87.4443   11.0415   33.7234  H     
31   H        90.3163   14.5606   29.2596  H     
32   H        89.2865   13.2925   28.8634  H     
33   H        89.5929   15.9726   34.1418  H     
34   H        90.5740   14.8537   35.0469  H     
35   H        91.5298   16.2895   32.5253  H     
36   H        91.6792   16.9270   34.1656  H     
37   H        92.7559   14.2434   34.1941  H     
38   H        93.4740   15.0870   32.8198  H     
39   H        94.9172   17.0349   33.1850  H     
40   H        96.1835   18.4340   34.6746  H     
41   H        95.9307   18.2161   37.0773  H     
42   H        94.3887   16.5811   37.9960  H     
43   H        93.0637   15.1996   36.5200  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 2
    21   18   23 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25   22   23 2
    26    1   24 1
    27    2   25 1
    28    4   26 1
    29    5   27 1
    30    6   28 1
    31   11   29 1
    32   11   30 1
    33   12   31 1
    34   12   32 1
    35   15   33 1
    36   15   34 1
    37   16   35 1
    38   16   36 1
    39   17   37 1
    40   17   38 1
    41   19   39 1
    42   20   40 1
    43   21   41 1
    44   22   42 1
    45   23   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0534
  Crash		| -0.7854
  Polar		| 3.0770
  FragIndex	| 1
  FragRMSD	| 0.415