MMs02589931 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 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 1.4136 -0.5017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8386 -1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -3.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 -3.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -4.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -4.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6731 -2.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 -1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 -2.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0173 -3.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8153 -1.3977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3108 -1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0955 -0.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6371 1.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5538 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7906 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1440 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2606 -1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0238 -2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6704 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2841 -2.4224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8398 -0.5671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 1.8464 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4014 1.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 0.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 -1.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 -4.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -5.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7053 -5.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3418 -0.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -0.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1364 -0.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6973 1.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1334 0.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3433 -2.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1170 -3.6926 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 27 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 32 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 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 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 35 1 0 0 0 0 12 36 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END