MMs00452747 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 44 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 1.2942 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 1.4834 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6076 2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 3.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 2.2251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 2.2085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1074 2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4017 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7055 2.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9997 1.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3035 2.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -1.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -3.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 -2.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 -1.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 0.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9191 3.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5171 3.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0264 0.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 0.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 3.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8846 3.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6245 0.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 0.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0389 0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8968 1.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3465 2.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7101 3.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7901 -0.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9825 -1.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 -0.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0258 2.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 44 45 1 0 0 0 0 M END