rubrolone.MOL


 37 39  0  0  0                 1 V2000
    0.3598    2.6160   -0.9521 C   0  0  0  0  0
    0.5021    1.2788   -0.4444 C   0  0  0  0  0
    1.5648    0.4202   -0.4567 C   0  0  0  0  0
    2.9214    0.6565   -0.9754 C   0  0  0  0  0
    3.4185    1.9549   -1.4745 C   0  0  0  0  0
    2.6885    3.0784   -1.6941 C   0  0  0  0  0
    1.2917    3.4196   -1.5324 C   0  0  0  0  0
   -0.6751    0.6104    0.2006 C   0  0  0  0  0
   -0.1930   -0.7360    0.5613 C   0  0  0  0  0
    1.1482   -0.8500    0.1584 C   0  0  0  0  0
   -0.8602   -1.7777    1.2072 C   0  0  0  0  0
   -0.1978   -2.9310    1.4317 N   0  0  0  0  0
    1.0744   -3.0735    1.0400 C   0  0  0  0  0
    1.8000   -2.0509    0.3996 C   0  0  0  0  0
   -1.7839    1.0945    0.3828 O   0  0  0  0  0
   -2.2807   -1.7286    1.7170 C   0  0  0  0  0
   -3.1190   -2.9595    1.3356 C   0  0  0  0  0
   -4.5489   -2.8570    1.8857 C   0  0  0  0  0
    4.7614    1.9536   -1.7296 O   0  0  0  0  0
    0.9039    4.6682   -1.9273 O   0  0  0  0  0
    3.7457   -0.2571   -0.9849 O   0  0  0  0  0
    1.7076   -4.4074    1.3409 C   0  0  0  0  0
   -0.6488    3.0582   -0.8620 H   0  0  0  0  0
    3.2927    3.9203   -2.0834 H   0  0  0  0  0
    2.8462   -2.2214    0.1112 H   0  0  0  0  0
   -2.8050   -0.8250    1.3363 H   0  0  0  0  0
   -2.2363   -1.6326    2.8276 H   0  0  0  0  0
   -2.6516   -3.8905    1.7359 H   0  0  0  0  0
   -3.1550   -3.0528    0.2235 H   0  0  0  0  0
   -5.1528   -3.7490    1.6010 H   0  0  0  0  0
   -5.0705   -1.9553    1.4908 H   0  0  0  0  0
   -4.5460   -2.7914    2.9980 H   0  0  0  0  0
    5.0542    1.0341   -1.8447 H   0  0  0  0  0
    1.6915    5.1474   -2.2321 H   0  0  0  0  0
    1.8798   -4.9664    0.3931 H   0  0  0  0  0
    1.0730   -5.0393    2.0023 H   0  0  0  0  0
    2.6880   -4.2667    1.8500 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  2  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 21  2  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 15  2  0  0  0
  9 10  2  0  0  0
  9 11  1  1  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 25  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 16 27  1  1  0  0
 17 18  1  0  0  0
 17 28  1  0  0  0
 17 29  1  6  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  1  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
 22 35  1  6  0  0
 22 36  1  1  0  0
 22 37  1  1  0  0
M  END