MMs02453969 MOE2007 2D CORINA 3.40 0006 02.08.2006 67 68 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 1.4060 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0961 0.8093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 0.5646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6152 -0.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4595 -1.5904 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 3.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 1.2199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 1.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6719 2.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1181 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1860 3.5841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0345 4.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8076 5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 5.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8754 6.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4971 7.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 3.1861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0106 1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 0.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4568 1.3365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.4568 2.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6289 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8813 1.4471 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4833 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9848 -0.0675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1593 -1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8312 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6299 -1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8702 -0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 2.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 2.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2845 -1.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4181 1.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 0.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 -1.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 -0.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -2.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 0.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1796 2.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 3.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5824 1.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 3.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1864 4.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6036 1.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0964 1.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6583 7.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1944 8.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3359 7.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4865 4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7862 3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3904 3.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9614 -1.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4357 -1.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7473 -2.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8242 -1.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4131 -1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9797 -1.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3273 0.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 3.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5124 -0.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -2.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 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 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 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 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 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 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M END