MMs02654752 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 1.3353 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5673 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 -2.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -1.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -0.0047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -0.8352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6156 -3.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 -1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 -2.9380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0395 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 -5.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2715 -5.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0615 -2.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0034 -3.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6015 -1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6596 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1996 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6815 1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6235 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0834 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0254 -2.2419 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 0.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5467 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 0.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2489 -0.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 -1.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1986 -4.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9679 -4.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2523 -6.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4713 -5.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0405 -6.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 -0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4461 2.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1136 2.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8090 0.5106 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 M END