MMs01239495 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 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 -0.7602 -1.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 -1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5203 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5328 -3.6693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2926 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8983 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7297 -1.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2032 -3.7881 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4963 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8012 -3.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8130 -5.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0943 -3.0074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3992 -3.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4110 -5.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7159 -5.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0090 -5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9972 -3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6923 -2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6804 -1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1805 -1.4988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -14.6686 0.0130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -16.1804 -1.4752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0916 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -3.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7177 -2.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2603 -2.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0848 -1.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3765 -5.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7254 -7.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0529 -5.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0316 -3.1185 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 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 27 1 0 0 0 0 M END