3M4
  CCTOOLS-0919241044

 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.8750    3.4000   -0.0070 C   0  0  0  0  0
   -4.1890   -2.1930    0.0030 C   0  0  0  0  0
   -3.0180   -2.9320   -0.0000 C   0  0  0  0  0
    5.3180    1.0720    0.0030 C   0  0  0  0  0
    5.1220   -1.2260   -0.0130 C   0  0  0  0  0
   -4.1430   -0.8120   -0.0000 C   0  0  0  0  0
   -1.7940   -2.2960    0.0000 C   0  0  0  0  0
    3.9470    1.2350    0.0040 C   0  0  0  0  0
    3.7430   -1.1540   -0.0010 C   0  0  0  0  0
   -4.1260    1.8910   -0.0050 C   0  0  0  0  0
    5.8570   -0.1310   -0.0050 N   0  0  0  0  0
    0.9690    1.3440    0.0060 N   0  0  0  0  0
    0.7620   -0.7870    0.0020 N   0  0  0  0  0
   -2.8760    1.1990   -0.0020 O   0  0  0  0  0
   -0.2210    1.1120    0.0060 O   0  0  0  0  0
    3.1300    0.1020    0.0020 C   0  0  0  0  0
   -2.9220   -0.1570   -0.0000 C   0  0  0  0  0
    1.6510    0.2280    0.0030 C   0  0  0  0  0
   -1.7350   -0.9020    0.0030 C   0  0  0  0  0
   -0.4280   -0.2150    0.0040 C   0  0  0  0  0
   -4.8280    3.9270   -0.0090 H   0  0  0  0  0
   -3.3090    3.6750    0.8830 H   0  0  0  0  0
   -3.3070    3.6720   -0.8970 H   0  0  0  0  0
   -5.1430   -2.6990    0.0020 H   0  0  0  0  0
   -3.0630   -4.0110   -0.0020 H   0  0  0  0  0
    5.9580    1.9430    0.0040 H   0  0  0  0  0
    5.6040   -2.1920   -0.0150 H   0  0  0  0  0
   -5.0610   -0.2430   -0.0030 H   0  0  0  0  0
   -0.8830   -2.8770   -0.0020 H   0  0  0  0  0
    3.5130    2.2240    0.0060 H   0  0  0  0  0
    3.1470   -2.0540    0.0060 H   0  0  0  0  0
   -4.6940    1.6180    0.8850 H   0  0  0  0  0
   -4.6920    1.6150   -0.8950 H   0  0  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 24  1  0  0  0
  3  2  2  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4 26  1  0  0  0
  5  9  2  0  0  0
  5 27  1  0  0  0
  6  2  1  0  0  0
  6 28  1  0  0  0
  7  3  1  0  0  0
  7 29  1  0  0  0
  8 16  2  0  0  0
  8 30  1  0  0  0
  9 16  1  0  0  0
  9 31  1  0  0  0
 10  1  1  0  0  0
 10 14  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11  4  2  0  0  0
 11  5  1  0  0  0
 12 15  1  0  0  0
 13 20  2  0  0  0
 14 17  1  0  0  0
 15 20  1  0  0  0
 16 18  1  0  0  0
 17  6  2  0  0  0
 18 12  2  0  0  0
 18 13  1  0  0  0
 19  7  2  0  0  0
 19 17  1  0  0  0
 20 19  1  0  0  0
M  END
$$$$
