MMs02594742 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.4584 0.3509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 3.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 2.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 2.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9522 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9258 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4244 3.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 3.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4008 1.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3745 2.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9022 0.2568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3773 -0.0158 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5287 -0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3509 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8259 0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7995 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2981 3.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2745 1.7211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8787 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9050 -2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 0.1616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -2.1182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 1.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -0.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 3.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 0.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 -0.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 4.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 4.7605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -0.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3166 1.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7706 2.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4062 -0.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8601 0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6756 0.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0534 2.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3537 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7548 -2.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 43 44 1 0 0 0 0 M END