MMs01171844 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 56 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 1.3007 0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0949 0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 2.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0226 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5438 -0.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0124 -1.8298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7652 -0.5323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3652 -1.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7639 0.5845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0790 2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5066 2.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9664 3.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2815 4.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2573 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8704 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2416 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6285 -1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1364 -1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5233 -2.9632 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -0.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 1.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 1.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -0.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -0.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1294 1.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6721 1.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4228 -0.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 -0.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 1.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2701 1.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7916 -1.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 -2.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1179 3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1705 3.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3968 2.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9072 1.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4547 4.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5335 5.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 4.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1672 1.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8530 2.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4352 0.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3317 -2.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 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 7 8 1 0 0 0 0 7 42 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 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 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 21 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 M END