MMs01855388 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 0.7452 -1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 1.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 2.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 -2.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -1.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 -2.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9903 -2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2451 -1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9903 -2.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2355 -3.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7355 -3.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4903 -2.6479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4959 -1.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 -4.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9903 -2.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 -1.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -1.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 -3.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -3.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 -2.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 -1.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1038 1.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3490 -0.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 -3.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 -3.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1490 -0.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8490 -0.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8317 -4.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1317 -4.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 -3.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5941 -1.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 1.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 39 1 0 0 0 0 19 40 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 41 1 0 0 0 0 23 42 1 0 0 0 0 43 44 1 0 0 0 0 M END