MMs00456582 MOE2007 2D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7183 -1.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 -2.0918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -1.4930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1661 -2.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 -2.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -3.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 -1.5145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3813 0.2757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1206 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -2.1359 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2668 -2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4074 -3.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 -4.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 1.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 1.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 0.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -3.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -0.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 1.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0972 -0.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -4.0809 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 27 -1 M END