MMs00447498 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 0.7549 -1.2962 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4451 -1.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0098 -2.5867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 -3.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 -3.8942 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3648 -4.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 -2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2648 -3.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 -1.2791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7549 -1.2734 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1549 -0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5098 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0098 -2.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7647 -3.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2647 -3.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0098 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7549 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 -0.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -0.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -4.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 -5.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 -4.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -6.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -5.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -0.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3837 -2.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 -3.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1687 -4.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8686 -4.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2098 -2.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8509 -0.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4529 -0.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 1.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3411 2.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 43 44 1 0 0 0 0 M END