MMs00775878 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 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 -0.7580 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -2.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -3.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0319 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -3.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 -3.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0318 -5.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -2.5796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5159 -2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2738 -3.8648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2579 -1.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5158 -2.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0158 -2.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7578 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7419 1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4839 2.6441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2101 -6.5089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -1.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -3.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 -6.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4095 -1.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6515 -0.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9222 -3.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6221 -3.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9578 -1.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5934 1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2419 1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 2 0 0 0 0 M CHG 1 22 -1 M END