MMs03122246 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 51 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 1.4787 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 -1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 -1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 0.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9147 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -2.3525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 -0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9877 0.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1123 -3.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0731 -3.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8603 -4.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1887 -5.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 -4.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5965 -2.9910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2931 -1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 -0.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7919 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4885 -0.2733 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9872 -0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6839 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1826 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9848 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2881 -1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7894 -1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 1.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 0.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 -1.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 -2.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 -3.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 1.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0194 2.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7049 -4.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4171 -5.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5234 -6.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1123 -6.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -5.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2757 -3.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 -2.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9352 -1.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0422 2.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7399 2.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1838 -0.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9299 -2.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 -2.5426 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 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END