MMs03921676 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 66 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 -1.2972 0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 2.2531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0109 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 2.2469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 3.0063 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5908 1.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9626 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 3.5166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5636 4.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2105 4.8138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3619 5.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 4.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8173 6.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 7.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4181 8.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 3.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0692 1.9946 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4380 2.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6537 1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0225 2.3427 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.0225 1.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3234 1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.3626 0.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4356 2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8222 3.9711 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.2222 5.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3308 3.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5691 5.2719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9557 6.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0680 7.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.3688 6.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0605 5.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1776 4.4313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.6031 4.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9114 6.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0518 6.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7943 7.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1026 8.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.7202 3.8973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4838 0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5146 -0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -1.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6387 0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 1.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 1.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 5.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6488 7.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7925 0.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3271 0.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1433 1.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4734 3.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7813 6.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8606 4.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4736 2.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6826 0.6258 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 2 0 0 0 0 44 60 1 0 0 0 0 44 61 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 62 -1 M END