MMs01879648 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 55 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 1.2961 -0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 0.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -0.7650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8550 -1.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 -0.7749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0903 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0903 0.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6884 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 -2.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 -3.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 -3.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 -2.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9788 -3.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 -4.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2807 -2.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5768 -3.0598 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6161 -3.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5711 -4.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8787 -2.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1749 -3.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 0.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 -1.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -1.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8038 1.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 1.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4877 -1.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0264 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 0.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6244 0.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 0.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1031 0.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8693 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1485 -3.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6058 -3.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9036 -2.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 -3.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2853 -1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3711 -4.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5665 -5.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7711 -4.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8845 -0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -2.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -2.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9260 -0.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END