NCI:111876
BBtclserve11129917302D 0   0.00000     0.00000 85581
999-99-9
 20 20  0  0  0  0  0  0  0  0  2 V2000
    4.4734    0.8356    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2406    1.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8123   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5344    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3015    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    0.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063   -0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0078    2.1185    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.1512   -1.0460    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.5953    1.5229    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.3516    0.1483    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.1296    2.8058    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402   -1.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -1.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402   -2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063   -2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  3  0  0  0  0
  4 11  3  0  0  0  0
  5 12  3  0  0  0  0
  6 13  3  0  0  0  0
  7 14  3  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  5  10   1  11   1  12   1  13   1  14   1
M  END