MMs03916290 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 -0.7573 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 2.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 3.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -1.2864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 3.8928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3872 4.2034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 4.0413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9539 2.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5846 5.5067 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8952 6.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 6.2640 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1307 6.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 5.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 7.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 8.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 9.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 6.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0905 7.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2619 2.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 3.2246 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 1.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1998 3.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1972 2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6662 2.7115 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3556 1.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2840 4.0783 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.8840 5.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7749 3.9132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.9749 3.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0785 2.4442 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.0785 1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7753 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4454 1.8264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7486 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8577 1.5592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2399 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7490 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8605 -0.8511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4629 -2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9538 -2.3899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8423 -1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3331 -1.3466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7848 5.0222 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.5413 5.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1471 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9573 1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 -2.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -1.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 7.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 8.9193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 1.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6405 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8807 3.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7521 -3.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0439 -0.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8151 -2.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4272 4.6935 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 50 1 0 0 0 0 2 3 1 0 0 0 0 2 51 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 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 47 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 2 0 0 0 0 38 58 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 45 2 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 59 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 60 1 0 0 0 0 46 61 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 62 -1 M END