alizarin.MOL


 26 28  0  0  0                 1 V2000
   -3.3794    0.1403   -2.8143 C   0  0  0  0  0
   -3.3854   -1.2220   -2.5273 C   0  0  0  0  0
   -2.3281   -1.7873   -1.8053 C   0  0  0  0  0
   -1.2612   -0.9928   -1.3710 C   0  0  0  0  0
   -1.2498    0.3828   -1.6656 C   0  0  0  0  0
   -2.3138    0.9400   -2.3849 C   0  0  0  0  0
   -0.1572   -1.6175   -0.6030 C   0  0  0  0  0
    0.9453   -0.7369   -0.1416 C   0  0  0  0  0
    0.9688    0.6405   -0.4357 C   0  0  0  0  0
   -0.1322    1.2571   -1.2257 C   0  0  0  0  0
    1.9816   -1.3008    0.6070 C   0  0  0  0  0
    3.0345   -0.5003    1.0551 C   0  0  0  0  0
    3.0714    0.8620    0.7662 C   0  0  0  0  0
    2.0316    1.4402    0.0171 C   0  0  0  0  0
   -0.1420    2.4503   -1.5185 O   0  0  0  0  0
   -0.1562   -2.8212   -0.3554 O   0  0  0  0  0
    2.1078    2.7749   -0.2411 O   0  0  0  0  0
    4.1044    1.6303    1.2050 O   0  0  0  0  0
   -4.2137    0.5882   -3.3785 H   0  0  0  0  0
   -4.2233   -1.8528   -2.8662 H   0  0  0  0  0
   -2.3581   -2.8671   -1.5879 H   0  0  0  0  0
   -2.3382    2.0148   -2.6263 H   0  0  0  0  0
    1.9909   -2.3734    0.8589 H   0  0  0  0  0
    3.8474   -0.9528    1.6463 H   0  0  0  0  0
    2.9281    3.1036    0.1627 H   0  0  0  0  0
    4.7203    1.0603    1.6928 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  6  0  0
  2  3  1  1  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  1  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 16  2  0  0  0
  8  9  2  0  0  0
  8 11  1  1  0  0
  9 10  1  6  0  0
  9 14  1  0  0  0
 10 15  2  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 12 24  1  1  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 17  1  0  0  0
 17 25  1  0  0  0
 18 26  1  1  0  0
M  END