MMs00311882 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 1.2982 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4949 -0.7523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7948 1.4972 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0930 -0.7533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6922 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 -2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3912 -3.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6905 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9893 -3.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2886 -2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5874 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5868 -4.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2875 -5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9888 -4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6894 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6890 -6.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3907 -4.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0914 -5.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0132 -4.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8954 -3.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0141 -2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 -1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -3.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -2.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 0.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -1.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6679 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4945 -1.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8023 -1.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5741 0.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 1.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9828 2.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6926 3.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9108 -2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 -3.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6910 -1.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2890 -1.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2871 -6.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7868 -4.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7874 -2.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -0.7505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 54 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END