MMs00531727 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -1.3046 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 1.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8803 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1627 4.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 6.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4672 3.7980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 4.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4783 2.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1849 1.5385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7829 1.5577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0763 2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3809 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3920 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6744 2.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9789 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2724 2.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5769 1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5880 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2946 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9900 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8926 -0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1860 0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 -1.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6417 -0.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 3.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 2.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8256 4.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2982 3.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8409 3.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6655 3.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2635 3.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6117 2.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3035 -1.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9553 -0.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9037 -2.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9473 -2.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END