MMs03401652 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.3051 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3173 -2.2394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 -2.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 -4.4693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 -4.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8821 -6.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0004 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 -3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0898 -1.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3293 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 -0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9920 0.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2971 -0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5900 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5778 2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2728 2.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 2.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 2.8967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.8951 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9073 -1.5610 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9877 -2.3576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -5.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -6.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 0.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 -0.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 -4.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1349 -0.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0649 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3068 -1.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6122 2.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 4.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 -4.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -5.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 -7.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2675 -8.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 -6.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1880 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 43 2 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 23 -1 M END