MMs01004688 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.3011 -0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 -0.7323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0212 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5477 -1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0407 1.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0912 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0871 2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3841 3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6852 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6893 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1171 0.3222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9955 1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1105 2.7492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4782 3.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2419 2.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7419 2.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4955 1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7490 0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2490 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 0.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 0.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 -1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -1.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 0.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 0.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0463 2.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3808 4.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3955 -1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6391 3.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3391 3.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6955 1.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3518 -0.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6518 -0.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END