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


@<TRIPOS>ATOM
1    C        88.3004   12.4203   36.6044  C     
2    C        88.2966   12.8374   35.2681  C     
3    C        89.4296   12.6471   34.4629  C     
4    C        90.5801   12.0614   35.0253  C     
5    C        90.5913   11.6969   36.3785  C     
6    C        89.4566   11.8556   37.2136  C     
7    C        89.3993   13.0223   33.1060  C     
8    C        88.4942   12.3934   32.2107  C     
9    C        89.3388   13.6825   30.4102  C     
10   C        90.2693   14.0179   32.5811  C     
11   N        87.6322   11.4302   32.5885  N     
12   N        89.3732   14.0072   29.1089  N     
13   N        88.4977   12.7355   30.8969  N     
14   N        90.1846   14.3067   31.2551  N     
15   C        91.2995   14.7839   33.3386  C     
16   C        91.0833   16.3109   33.2894  C     
17   C        89.5303   11.4631   38.6734  C     
18   C        89.9490    9.9599   38.8101  C     
19   C        90.6055   12.3614   39.3727  C     
20   C        88.1715   11.6366   39.4365  C     
21   H        87.4489   12.5835   37.1328  H     
22   H        87.4499   13.2584   34.8815  H     
23   H        91.4213   11.9278   34.4632  H     
24   H        91.4572   11.3075   36.7549  H     
25   H        87.0483   11.0187   31.9312  H     
26   H        87.5639   11.1498   33.5191  H     
27   H        90.0283   14.6597   28.7995  H     
28   H        88.7867   13.5728   28.4686  H     
29   H        91.3345   14.4932   34.3846  H     
30   H        92.2763   14.5529   32.9212  H     
31   H        91.1662   16.6751   32.2632  H     
32   H        91.8437   16.8109   33.8947  H     
33   H        90.0943   16.5616   33.6862  H     
34   H        89.2849    9.3171   38.2230  H     
35   H        89.9161    9.6481   39.8545  H     
36   H        90.9727    9.7898   38.4768  H     
37   H        91.5897   12.2348   38.9154  H     
38   H        90.7002   12.1008   40.4272  H     
39   H        90.3288   13.4139   39.2920  H     
40   H        87.8783   12.6838   39.4500  H     
41   H        88.2420   11.2970   40.4694  H     
42   H        87.3766   11.0636   38.9465  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	| 4.3194
  Crash		| -3.1672
  Polar		| 2.2934
  FragIndex	| 1
  FragRMSD	| 0.350