MMs02046657 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 39 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 1.4967 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4574 -1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 1.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3096 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 3.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7349 1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 -1.2999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7188 0.0030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1781 1.7633 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3372 2.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2539 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6971 1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7730 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4057 -1.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9626 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 -0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5453 3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9884 3.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 1.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 -0.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0801 -1.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1636 -2.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -1.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 3.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9909 2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9275 0.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2664 -2.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6688 -2.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7322 -1.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 4.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7632 5.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 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 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 36 37 1 0 0 0 0 M END