MMs02654755 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 1.2511 -0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 -2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -2.7266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6559 -0.3019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0886 -1.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8949 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -4.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 -2.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 -3.8735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5075 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2426 -6.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5733 -6.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6983 -3.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5046 -5.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3905 -2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5842 -1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2765 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5813 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8891 -2.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4673 1.5152 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 1.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -1.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -3.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -0.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 -1.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 -2.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5467 -5.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 -5.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5124 -6.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7631 -6.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2128 -7.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3854 -1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 1.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7802 -1.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5341 -3.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 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 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END