MMs01792596 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 1.2967 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 1.4921 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6419 0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 2.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 3.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 2.2539 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3314 2.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 6.0079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5935 1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 2.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 2.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1047 3.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 4.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 3.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 4.4841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 5.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 3.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 4.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6032 -1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 -1.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -2.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -3.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -1.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1065 3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8737 4.8803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7655 4.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 7.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9139 7.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 5.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 1.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1457 4.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8116 5.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 2.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9313 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 52 53 1 0 0 0 0 M END