T3E CCTOOLS-0919241032 42 44 0 0 0 0 0 0 0 0999 V2000 7.8470 2.3500 -0.0740 C 0 0 0 0 0 7.2500 1.0250 0.1120 N 0 0 0 0 0 5.8790 0.8700 0.0460 C 0 0 0 0 0 5.0320 1.8320 -0.1770 N 0 0 0 0 0 3.7600 1.5130 -0.2100 C 0 0 0 0 0 2.6700 2.5230 -0.4580 C 0 0 0 0 0 3.5100 0.1990 -0.0020 C 0 0 0 0 0 2.1850 -0.4370 0.0150 C 0 0 0 0 0 1.0820 0.2850 -0.1840 N 0 0 0 0 0 -0.1110 -0.2870 -0.1690 C 0 0 0 0 0 -1.2310 0.4960 -0.3800 N 0 0 0 0 0 -2.4910 -0.1000 -0.4840 C 0 0 0 0 0 -3.6160 0.5630 -0.0090 C 0 0 0 0 0 -4.8590 -0.0280 -0.1140 C 0 0 0 0 0 -6.2860 0.8120 0.4880 S 0 0 0 0 0 -5.8270 1.7330 1.4680 O 0 0 0 0 0 -6.8840 1.7190 -0.7620 N 0 0 0 0 0 -7.2580 -0.1890 0.7570 O 0 0 0 0 0 -4.9860 -1.2780 -0.6900 C 0 0 0 0 0 -3.8680 -1.9410 -1.1630 C 0 0 0 0 0 -2.6220 -1.3530 -1.0670 C 0 0 0 0 0 -0.2680 -1.5880 0.0420 N 0 0 0 0 0 0.7690 -2.3790 0.2490 C 0 0 0 0 0 2.0560 -1.8300 0.2390 C 0 0 0 0 0 3.2090 -2.6520 0.4530 C 0 0 0 0 0 4.1230 -3.3040 0.6230 N 0 0 0 0 0 5.0540 -0.6150 0.2360 S 0 0 0 0 0 7.5870 2.7300 -1.0610 H 0 0 0 0 0 7.4680 3.0300 0.6890 H 0 0 0 0 0 8.9310 2.2750 0.0130 H 0 0 0 0 0 7.8170 0.2570 0.2820 H 0 0 0 0 0 2.4770 2.5940 -1.5280 H 0 0 0 0 0 1.7610 2.2100 0.0560 H 0 0 0 0 0 2.9840 3.4970 -0.0800 H 0 0 0 0 0 -1.1420 1.4590 -0.4560 H 0 0 0 0 0 -3.5180 1.5400 0.4420 H 0 0 0 0 0 -1.7510 -1.8700 -1.4410 H 0 0 0 0 0 -5.9600 -1.7390 -0.7710 H 0 0 0 0 0 -7.8350 1.9020 -0.8170 H 0 0 0 0 0 -6.2830 2.0680 -1.4390 H 0 0 0 0 0 -3.9710 -2.9180 -1.6130 H 0 0 0 0 0 0.6260 -3.4360 0.4190 H 0 0 0 0 0 1 2 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 2 3 1 0 0 0 2 31 1 0 0 0 3 4 2 0 0 0 3 27 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 2 0 0 0 6 32 1 0 0 0 6 33 1 0 0 0 6 34 1 0 0 0 7 8 1 0 0 0 7 27 1 0 0 0 8 9 1 0 0 0 8 24 2 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 10 22 1 0 0 0 11 12 1 0 0 0 11 35 1 0 0 0 12 13 1 0 0 0 12 21 2 0 0 0 13 14 2 0 0 0 13 36 1 0 0 0 14 15 1 0 0 0 14 19 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 15 18 2 0 0 0 17 39 1 0 0 0 17 40 1 0 0 0 19 20 2 0 0 0 19 38 1 0 0 0 20 21 1 0 0 0 20 41 1 0 0 0 21 37 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 23 42 1 0 0 0 24 25 1 0 0 0 25 26 3 0 0 0 M END $$$$