NCI:59985
BBtclserve11129917092D 0   0.00000     0.00000 49945
999-99-9
 20 20  0  0  0  0  0  0  0  0  2 V2000
    4.1255    1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5322    0.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133    2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    3.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512   -1.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9499   -0.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133    3.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0223    3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133    4.8690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1701   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0793    5.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    5.3691    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5823   -3.6465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -3.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3510    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  2  0  0  0  0
M  CHG  2  12   1  15  -1
M  END