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


@<TRIPOS>ATOM
1    C        29.6076    1.2295   14.8388  C     
2    C        29.5552    1.5280   13.4630  C     
3    C        28.6533    2.5060   12.9759  C     
4    C        27.7951    3.1612   13.8892  C     
5    C        27.8517    2.8594   15.2638  C     
6    C        28.7600    1.8959   15.7404  C     
7    C        28.6057    2.8125   11.5952  C     
8    C        27.9100    1.9685   10.6930  C     
9    C        28.6617    3.2447    8.8480  C     
10   C        29.2949    3.9298   11.0407  C     
11   N        27.1743    0.9125   11.0763  N     
12   N        28.7372    3.4424    7.5200  N     
13   N        27.9670    2.2053    9.3588  N     
14   N        29.2868    4.0918    9.6908  N     
15   C        30.0249    4.9779   11.8046  C     
16   C        31.5544    4.9922   11.5265  C     
17   C        32.2510    6.3220   11.9573  C     
18   C        33.3368    6.1607   12.9581  C     
19   C        33.1473    6.5307   14.3110  C     
20   C        34.2094    6.4586   15.2265  C     
21   C        35.4762    6.0201   14.8028  C     
22   C        35.6733    5.6300   13.4663  C     
23   C        34.6068    5.6923   12.5507  C     
24   H        30.2683    0.5298   15.1813  H     
25   H        30.1860    1.0383   12.8204  H     
26   H        27.1327    3.8692   13.5607  H     
27   H        27.2375    3.3458   15.9175  H     
28   H        28.8077    1.6878   16.7356  H     
29   H        26.7305    0.3757   10.4020  H     
30   H        27.0633    0.6802   12.0135  H     
31   H        29.2530    4.1914    7.1777  H     
32   H        28.2915    2.8385    6.9085  H     
33   H        29.5880    5.9394   11.5165  H     
34   H        29.8882    4.8731   12.8835  H     
35   H        31.9968    4.1251   12.0317  H     
36   H        31.7295    4.8566   10.4575  H     
37   H        32.6733    6.8080   11.0707  H     
38   H        31.5074    7.0285   12.3428  H     
39   H        32.2358    6.8712   14.6358  H     
40   H        34.0698    6.7444   16.2003  H     
41   H        36.2563    5.9840   15.4644  H     
42   H        36.5915    5.3064   13.1563  H     
43   H        34.7671    5.4128   11.5791  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	| 6.4235
  Crash		| -1.2976
  Polar		| 1.8207
  FragIndex	| 1
  FragRMSD	| 0.456