MMs02418854 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 69 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 1.4939 0.1347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 2.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 1.7128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7416 0.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1816 0.7257 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2209 0.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4694 1.4948 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5087 2.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 2.9573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8253 4.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 3.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 4.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5946 3.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8486 0.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 3.8661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 4.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 3.8276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 2.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 1.5587 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7353 2.2893 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3331 2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5987 -0.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2887 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 0.0203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2664 -2.2486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7503 2.4688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1606 3.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6666 3.7133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2128 2.1352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9022 3.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3422 3.1223 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3815 3.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6300 2.3531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6693 1.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 0.8907 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9859 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8025 0.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2835 -0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7552 0.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0092 2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2076 4.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 6.0966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 -1.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 4.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 5.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3843 4.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9917 -0.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0281 -1.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2184 -2.8332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2967 -2.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7759 4.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2566 -0.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7165 -1.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5449 -0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1523 4.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1887 5.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 6.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 6.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 43 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 47 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 46 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 44 58 1 0 0 0 0 44 59 1 0 0 0 0 45 60 1 0 0 0 0 46 61 1 0 0 0 0 47 62 1 0 0 0 0 48 63 1 0 0 0 0 48 64 1 0 0 0 0 M END