MMs03229251 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 67 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 0.7568 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 -1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -2.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 -5.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -3.8931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -4.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 -2.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 -2.5743 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2031 -1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -3.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 -3.3121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8258 -4.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 -1.8121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5073 -0.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3889 -1.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0268 -0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4003 -1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6091 -0.6389 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.7211 0.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -1.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 -1.6831 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3882 -2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2001 -0.6842 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8896 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3648 -2.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9977 -2.7925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0369 -3.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6936 -4.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8136 -5.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3095 0.3253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9899 1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0993 2.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5284 2.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6378 3.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8480 0.8789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9912 0.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7386 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0582 -1.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7797 4.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 -4.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -0.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 -0.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3657 -4.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8956 -4.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 -0.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6925 0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6325 0.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0961 0.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5786 -3.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0631 -5.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5703 -6.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8467 2.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9522 4.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5241 5.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6073 4.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9248 -5.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8180 0.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 1.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 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 63 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 41 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 43 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 43 59 1 0 0 0 0 43 60 1 0 0 0 0 43 61 1 0 0 0 0 44 62 1 0 0 0 0 63 64 1 0 0 0 0 M END