NCI:106650
BBtclserve11129917282D 0   0.00000     0.00000 82286
2172-44-3
 19 20  0  0  0  0  0  0  0  0  2 V2000
    5.3617    1.5788    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0072    2.3426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7004    0.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775    1.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479    1.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0546    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END