3MJ CCTOOLS-0919241044 50 50 0 0 0 0 0 0 0 0999 V2000 -4.8800 -1.2750 -0.0050 C 0 0 0 0 0 -6.3750 0.6070 -0.0050 C 0 0 0 0 0 -6.1660 -0.7700 -0.0050 C 0 0 0 0 0 -5.2890 1.4800 -0.0050 C 0 0 0 0 0 -4.0010 0.9830 -0.0040 C 0 0 0 0 0 -3.7870 -0.4010 -0.0040 C 0 0 0 0 0 -2.4180 -0.9340 -0.0040 C 0 0 0 0 0 -1.2420 0.0090 -0.0040 C 0 0 0 0 0 0.0580 -0.7980 -0.0030 C 0 0 0 0 0 1.2520 0.1590 -0.0020 C 0 0 0 0 0 2.5520 -0.6470 -0.0020 C 0 0 0 0 0 3.7460 0.3100 -0.0010 C 0 0 0 0 0 5.0460 -0.4970 -0.0010 C 0 0 0 0 0 6.2390 0.4600 -0.0000 C 0 0 0 0 0 -5.4980 2.8240 -0.0060 O 0 0 0 0 0 -7.6410 1.1000 -0.0070 O 0 0 0 0 0 -7.2290 -1.6180 -0.0050 O 0 0 0 0 0 7.5400 -0.3460 0.0000 C 0 0 0 0 0 8.7330 0.6110 0.0010 C 0 0 0 0 0 10.0340 -0.1960 0.0010 C 0 0 0 0 0 11.2270 0.7610 0.0020 C 0 0 0 0 0 -2.2340 -2.1330 -0.0040 O 0 0 0 0 0 -4.7190 -2.3430 -0.0000 H 0 0 0 0 0 -3.1600 1.6600 -0.0050 H 0 0 0 0 0 -1.2800 0.6370 -0.8940 H 0 0 0 0 0 -1.2810 0.6370 0.8860 H 0 0 0 0 0 0.0950 -1.4260 0.8870 H 0 0 0 0 0 0.0960 -1.4260 -0.8930 H 0 0 0 0 0 1.2140 0.7870 -0.8930 H 0 0 0 0 0 1.2130 0.7880 0.8870 H 0 0 0 0 0 2.5890 -1.2750 0.8880 H 0 0 0 0 0 2.5900 -1.2760 -0.8920 H 0 0 0 0 0 3.7080 0.9380 -0.8920 H 0 0 0 0 0 3.7070 0.9380 0.8880 H 0 0 0 0 0 5.0830 -1.1250 0.8890 H 0 0 0 0 0 5.0840 -1.1250 -0.8910 H 0 0 0 0 0 6.2020 1.0880 -0.8910 H 0 0 0 0 0 6.2010 1.0890 0.8890 H 0 0 0 0 0 -5.5590 3.2130 0.8770 H 0 0 0 0 0 -8.0070 1.2430 -0.8900 H 0 0 0 0 0 -7.5360 -1.8640 0.8780 H 0 0 0 0 0 7.5770 -0.9740 0.8910 H 0 0 0 0 0 7.5780 -0.9750 -0.8900 H 0 0 0 0 0 8.6960 1.2390 -0.8900 H 0 0 0 0 0 8.6950 1.2390 0.8910 H 0 0 0 0 0 10.0710 -0.8240 0.8910 H 0 0 0 0 0 10.0720 -0.8240 -0.8880 H 0 0 0 0 0 11.1900 1.3890 -0.8880 H 0 0 0 0 0 11.1890 1.3900 0.8910 H 0 0 0 0 0 12.1540 0.1870 0.0020 H 0 0 0 0 0 1 3 2 0 0 0 1 6 1 0 0 0 1 23 1 0 0 0 2 16 1 0 0 0 2 4 2 0 0 0 3 2 1 0 0 0 4 15 1 0 0 0 5 4 1 0 0 0 5 24 1 0 0 0 6 5 2 0 0 0 7 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 25 1 0 0 0 8 26 1 0 0 0 9 27 1 0 0 0 9 28 1 0 0 0 10 9 1 0 0 0 10 29 1 0 0 0 10 30 1 0 0 0 11 10 1 0 0 0 11 31 1 0 0 0 11 32 1 0 0 0 12 11 1 0 0 0 12 33 1 0 0 0 12 34 1 0 0 0 13 14 1 0 0 0 13 12 1 0 0 0 13 35 1 0 0 0 13 36 1 0 0 0 14 18 1 0 0 0 14 37 1 0 0 0 14 38 1 0 0 0 15 39 1 0 0 0 16 40 1 0 0 0 17 3 1 0 0 0 17 41 1 0 0 0 18 19 1 0 0 0 18 42 1 0 0 0 18 43 1 0 0 0 19 20 1 0 0 0 19 44 1 0 0 0 19 45 1 0 0 0 20 21 1 0 0 0 20 46 1 0 0 0 20 47 1 0 0 0 21 48 1 0 0 0 21 49 1 0 0 0 21 50 1 0 0 0 22 7 2 0 0 0 M END $$$$