7ML
  CCTOOLS-0919241029

 40 42  0  0  1  0  0  0  0  0999 V2000
   -2.8050   -0.0690    1.1290 C   0  0  0  0  0
    0.3170   -0.8260   -0.4600 C   0  0  0  0  0
    1.3900   -1.6750   -0.4350 C   0  0  0  0  0
    1.2500   -2.9670    0.0440 C   0  0  0  0  0
    0.4750    0.5860   -0.9850 C   0  0  0  0  0
    2.7420   -1.2060   -0.9310 C   0  0  0  0  0
    1.2970    1.3890    0.0260 C   0  0  0  0  0
    3.3010   -0.1920    0.0700 C   0  0  0  0  0
    2.7820    1.2060   -0.2160 C   0  0  0  0  0
   -3.8880    0.7850    1.0940 C   0  0  0  0  0
   -4.2730    1.3690   -0.0990 C   0  0  0  0  0
   -3.5760    1.1010   -1.2630 C   0  0  0  0  0
   -2.4910    0.2480   -1.2390 C   0  0  0  0  0
   -2.0950   -0.3390   -0.0390 C   0  0  0  0  0
   -0.9300   -1.2560   -0.0080 C   0  0  0  0  0
    0.0190   -3.4040    0.5000 C   0  0  0  0  0
   -1.0710   -2.5570    0.4740 C   0  0  0  0  0
    3.5210    2.1580    0.6230 N   0  3  0  0  0
    0.9690    2.7740   -0.0970 O   0  0  0  0  0
    0.9800    0.9470    1.3470 O   0  0  0  0  0
   -2.5050   -0.5250    2.0620 H   0  0  0  0  0
    2.1010   -3.6330    0.0610 H   0  0  0  0  0
    0.9920    0.5640   -1.9440 H   0  0  0  0  0
   -0.5070    1.0420   -1.1080 H   0  0  0  0  0
    3.4190   -2.0570   -1.0080 H   0  0  0  0  0
    2.6310   -0.7370   -1.9090 H   0  0  0  0  0
    2.9990   -0.4800    1.0770 H   0  0  0  0  0
    4.3900   -0.1920    0.0090 H   0  0  0  0  0
    2.9840    1.4420   -1.2610 H   0  0  0  0  0
   -4.4360    0.9980    2.0000 H   0  0  0  0  0
   -5.1220    2.0370   -0.1220 H   0  0  0  0  0
   -3.8810    1.5590   -2.1920 H   0  0  0  0  0
   -1.9480    0.0390   -2.1490 H   0  0  0  0  0
   -0.0910   -4.4110    0.8720 H   0  0  0  0  0
   -2.0310   -2.9010    0.8310 H   0  0  0  0  0
    4.5050    2.1050    0.4070 H   0  0  0  0  0
    3.1870    3.0930    0.4450 H   0  0  0  0  0
    0.0370    2.9740    0.0670 H   0  0  0  0  0
    0.0660    1.1220    1.6120 H   0  0  0  0  0
    3.3780    1.9300    1.5960 H   0  0  0  0  0
  1 10  2  0  0  0
  1 21  1  0  0  0
  2  5  1  0  0  0
  2 15  2  0  0  0
  3  2  1  0  0  0
  4  3  2  0  0  0
  4 16  1  0  0  0
  4 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  3  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 19  1  0  0  0
  7  5  1  0  0  0
  8  6  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9  7  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 12 11  2  0  0  0
 12 32  1  0  0  0
 13 12  1  0  0  0
 13 33  1  0  0  0
 14 13  2  0  0  0
 14  1  1  0  0  0
 15 14  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 15  1  0  0  0
 17 35  1  0  0  0
 18  9  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 20  7  1  0  0  0
 20 39  1  0  0  0
 40 18  1  0  0  0
M  CHG  1  18   1
M  END
$$$$
