MMs03429694 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 55 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 0.7586 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 -2.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 -2.5683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2756 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5342 -5.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 -3.8525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1756 -2.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7927 -6.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5513 -7.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 -9.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 -10.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0684 -10.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8098 -9.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0513 -7.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 -2.5485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9101 -1.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0170 -2.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7755 -3.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7584 -1.2346 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3584 -0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -1.2247 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4583 -1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0169 -2.5188 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 -1.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -2.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -3.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 -3.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0424 -0.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -0.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -2.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -3.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1102 -1.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 -4.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4585 -5.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8684 -5.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -7.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6099 -9.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 -11.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6753 -11.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0098 -9.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6444 -6.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2169 -2.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2412 1.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8343 2.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 54 55 1 0 0 0 0 M END