MMs01080212 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2943 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -0.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 -2.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 -3.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 -2.9999 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3132 -2.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 -4.4999 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 1.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 -0.7910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8035 1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1073 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4016 1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0884 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7053 2.1762 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4471 0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9635 3.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0091 2.9180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3033 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6775 2.7612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6741 1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9159 0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4507 0.6671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 1.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9183 -2.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 -4.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 -1.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7681 2.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1149 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4275 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0808 -2.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0166 4.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8683 1.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3971 -0.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END