TDT2MOL CSC1=NCCS1 14 14 0 0 0 0 0 3.0900 0.0600 0.1600 C 0 0 0 3 0 0 1.9300 -0.4100 -1.1300 S 0 0 0 0 0 0 0.2700 -0.2300 -0.6000 C 0 0 0 0 0 0 -0.5500 0.6800 -0.8900 N 0 0 0 0 0 0 -1.9200 0.6700 -0.3400 C 0 0 0 2 0 0 -2.2300 -0.5400 0.4600 C 0 0 0 2 0 0 -0.5800 -1.4300 0.5300 S 0 0 0 0 0 0 2.9100 -0.5600 1.0600 H 0 0 0 0 0 0 2.9500 1.1200 0.4100 H 0 0 0 0 0 0 4.1200 -0.1000 -0.1900 H 0 0 0 0 0 0 -2.0000 1.6100 0.2400 H 0 0 0 0 0 0 -2.5900 0.7900 -1.2200 H 0 0 0 0 0 0 -2.9100 -1.2600 0.0000 H 0 0 0 0 0 0 -2.5000 -0.3800 1.5100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 7 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 8 1 1 0 9 1 1 0 10 1 1 0 11 5 1 0 12 5 1 0 13 6 1 0 14 6 1 0 M END $$$$