MMs00677445 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.4929 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -1.0736 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2068 -1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 -2.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8587 -0.9274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8545 -2.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 -3.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5228 -2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8271 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9945 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2047 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1931 -2.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6953 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2956 -2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7863 -2.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6766 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0762 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5856 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9665 1.1000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.3661 2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4571 0.9326 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0829 0.0440 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 1.7409 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 1.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 -0.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1169 -1.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 1.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5751 0.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -1.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 -3.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 -2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 -3.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1085 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 1.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5834 -3.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2666 -3.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8691 -1.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1053 1.1599 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END