NCI:48028
BBtclserve11129917022D 0   0.00000     0.00000 41290
90438-40-7
 16 16  0  0  0  0  0  0  0  0  1 V2000
    4.8479   -1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222   -3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8941    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    3.9920    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
  2  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 10  1  0  0  0  0
M  END