3WL
  CCTOOLS-0919241028

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.3650    1.4120   -0.0020 C   0  0  0  0  0
   -4.7200    1.6660   -0.0090 C   0  0  0  0  0
   -1.4540   -0.1860    0.0050 C   0  0  0  0  0
   -1.0380   -1.4800    0.0030 C   0  0  0  0  0
    0.3490   -1.7670   -0.0010 C   0  0  0  0  0
    2.6640   -0.8160   -0.0070 C   0  0  0  0  0
    1.5970    1.7660   -0.0020 C   0  0  0  0  0
    0.7580   -2.9170   -0.0030 O   0  0  0  0  0
    1.2770   -0.6240   -0.0030 C   0  0  0  0  0
    0.7410    0.6750   -0.0010 C   0  0  0  0  0
    2.9690    1.5730   -0.0060 C   0  0  0  0  0
    3.8000    2.6470   -0.0060 O   0  0  0  0  0
    3.5040    0.2860   -0.0090 C   0  0  0  0  0
    4.8550    0.1110   -0.0120 O   0  0  0  0  0
    3.1820   -2.0720   -0.0080 O   0  0  0  0  0
   -0.5980    0.8480    0.0030 O   0  0  0  0  0
   -2.9040    0.0930    0.0020 C   0  0  0  0  0
   -3.8210   -0.9600    0.0040 C   0  0  0  0  0
   -5.1740   -0.6920    0.0020 C   0  0  0  0  0
   -5.6240    0.6170   -0.0120 C   0  0  0  0  0
   -2.6610    2.2310   -0.0040 H   0  0  0  0  0
   -5.0780    2.6850   -0.0120 H   0  0  0  0  0
   -1.7600   -2.2830    0.0040 H   0  0  0  0  0
    1.1940    2.7680    0.0000 H   0  0  0  0  0
    4.0430    2.9570    0.8770 H   0  0  0  0  0
    5.2420    0.0610   -0.8970 H   0  0  0  0  0
    3.3350   -2.4350    0.8740 H   0  0  0  0  0
   -3.4720   -1.9820    0.0070 H   0  0  0  0  0
   -5.8850   -1.5050    0.0040 H   0  0  0  0  0
   -6.6840    0.8220   -0.0170 H   0  0  0  0  0
  1 17  2  0  0  0
  1 21  1  0  0  0
  2 20  2  0  0  0
  2  1  1  0  0  0
  2 22  1  0  0  0
  3 16  1  0  0  0
  4  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  9  1  0  0  0
  6 13  2  0  0  0
  7 11  2  0  0  0
  7 24  1  0  0  0
  8  5  2  0  0  0
  9 10  2  0  0  0
  9  6  1  0  0  0
 10  7  1  0  0  0
 11 12  1  0  0  0
 12 25  1  0  0  0
 13 11  1  0  0  0
 13 14  1  0  0  0
 14 26  1  0  0  0
 15  6  1  0  0  0
 15 27  1  0  0  0
 16 10  1  0  0  0
 17 18  1  0  0  0
 17  3  1  0  0  0
 18 28  1  0  0  0
 19 18  2  0  0  0
 19 29  1  0  0  0
 20 19  1  0  0  0
 20 30  1  0  0  0
M  END
$$$$
