42M
  CCTOOLS-0410261002

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.1500   -0.1130   -3.1230 C   0  0  0  0  0
    1.4940    0.3560   -1.9440 O   0  0  0  0  0
    2.1280    0.1460   -0.7590 C   0  0  0  0  0
    3.3550   -0.4980   -0.7330 C   0  0  0  0  0
    3.9980   -0.7110    0.4720 C   0  0  0  0  0
    5.3320   -1.4110    0.4980 C   0  0  0  0  0
    6.3790   -0.4460    0.3830 O   0  0  0  0  0
    3.4200   -0.2830    1.6530 C   0  0  0  0  0
    2.1970    0.3600    1.6340 C   0  0  0  0  0
    1.5480    0.5810    0.4290 C   0  0  0  0  0
    0.3470    1.2180    0.4080 O   0  0  0  0  0
   -0.7760    0.4590    0.3180 C   0  0  0  0  0
   -0.6850   -0.9250    0.3680 C   0  0  0  0  0
   -1.8290   -1.6940    0.2750 C   0  0  0  0  0
   -3.0630   -1.0870    0.1330 C   0  0  0  0  0
   -4.2860   -1.9140    0.0350 N   0  3  0  0  0
   -4.2060   -3.1280    0.0790 O   0  5  0  0  0
   -5.3740   -1.3800   -0.0910 O   0  0  0  0  0
   -3.1560    0.2920    0.0830 C   0  0  0  0  0
   -2.0160    1.0660    0.1810 C   0  0  0  0  0
   -2.1170    2.5420    0.1340 N   0  3  0  0  0
   -3.2060    3.0750    0.0140 O   0  5  0  0  0
   -1.1110    3.2240    0.2150 O   0  0  0  0  0
    3.1190    0.3770   -3.2190 H   0  0  0  0  0
    2.2930   -1.1920   -3.0550 H   0  0  0  0  0
    1.5390    0.1180   -3.9950 H   0  0  0  0  0
    3.8080   -0.8340   -1.6540 H   0  0  0  0  0
    5.4390   -1.9530    1.4380 H   0  0  0  0  0
    5.3910   -2.1120   -0.3340 H   0  0  0  0  0
    3.9260   -0.4510    2.5920 H   0  0  0  0  0
    7.2680   -0.8260    0.3930 H   0  0  0  0  0
    1.7480    0.6940    2.5580 H   0  0  0  0  0
    0.2780   -1.4000    0.4780 H   0  0  0  0  0
   -1.7590   -2.7710    0.3140 H   0  0  0  0  0
   -4.1210    0.7640   -0.0280 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 10  2  0  0  0
  4  5  2  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 20  2  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 19  2  0  0  0
 16 17  1  0  0  0
 16 18  2  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 23  2  0  0  0
M  CHG  1  16   1
M  CHG  1  17  -1
M  CHG  1  21   1
M  CHG  1  22  -1
M  END
$$$$
