MMs03465952 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 45 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 -2.4366 -1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 -2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7971 -3.4403 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5431 -2.6173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3055 -1.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8599 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.7291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4632 -3.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 -1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -0.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9881 -2.3103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 -4.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -4.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 -2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4801 -1.8418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3287 -0.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9271 -2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9929 -1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -0.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 0.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 0.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 -0.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0534 -4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1816 -3.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 -1.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -4.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 -4.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3446 -5.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -5.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 -5.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5492 -5.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -4.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1581 -3.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -3.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9414 -0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 -1.1703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 -4.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 -4.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3083 -3.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -0.3910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9516 0.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4659 -4.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 29 40 1 0 0 0 0 38 43 1 0 0 0 0 40 41 1 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 4 1 M END