MMs01423491 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 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 1.3004 -0.7476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2612 -1.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 -0.7427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -2.9951 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5644 -3.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -2.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -4.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0097 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 -1.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 1.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4938 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7886 3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0890 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0918 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3867 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3839 4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6871 2.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9848 3.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9819 4.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 5.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5800 4.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5828 3.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2852 2.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8777 5.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1781 4.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8748 6.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 0.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 -1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 0.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 -2.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 -3.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 -4.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -5.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8065 -4.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4506 2.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 4.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 0.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7965 -1.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6894 1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9416 5.1223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2773 6.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6232 2.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2874 1.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0748 6.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8726 7.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6749 6.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 36 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 37 1 0 0 0 0 6 38 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 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END