@<TRIPOS>MOLECULE
BindingDB_18788
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.5147    0.9195   15.3829  C     
2    C        29.5480    1.1621   13.9946  C     
3    C        28.5988    2.0219   13.3972  C     
4    C        27.5981    2.6139   14.2048  C     
5    C        27.5776    2.3804   15.5922  C     
6    C        28.5299    1.5280   16.1801  C     
7    C        28.6981    2.3429   12.0217  C     
8    C        27.9529    1.6368   11.0390  C     
9    C        29.0015    2.8666    9.3007  C     
10   C        29.5840    3.3610   11.5642  C     
11   N        27.0695    0.6635   11.3320  N     
12   N        29.1778    3.1319    7.9965  N     
13   N        28.1212    1.9228    9.7211  N     
14   N        29.7043    3.5604   10.2244  N     
15   C        30.4331    4.1998   12.4572  C     
16   C        30.3082    5.7365   12.2241  C     
17   H        30.2102    0.3072   15.8157  H     
18   H        30.2880    0.7321   13.4291  H     
19   H        26.9120    3.2519   13.7948  H     
20   H        26.8702    2.8301   16.1761  H     
21   H        28.5127    1.3610   17.1886  H     
22   H        26.6197    0.1850   10.6157  H     
23   H        26.9097    0.4132   12.2549  H     
24   H        29.8390    3.7964    7.7301  H     
25   H        28.6713    2.6444    7.3209  H     
26   H        30.1789    4.0319   13.5198  H     
27   H        31.4880    3.9107   12.3160  H     
28   H        30.6759    6.0067   11.2218  H     
29   H        30.9024    6.2687   12.9697  H     
30   H        29.2608    6.0416   12.3219  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    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6844
  Crash		| -0.3223
  Polar		| 3.0186
  FragIndex	| 1
  FragRMSD	| 0.637