MMs00728425 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.2985 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2974 -2.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5959 -3.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 -2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3541 1.4878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8215 1.7986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5705 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -0.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.3411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9448 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0455 0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3190 2.6089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8107 2.4510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9698 2.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4198 1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6933 3.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0842 5.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4584 6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0675 4.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1849 3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 1.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 0.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 -1.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 -2.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -4.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 -2.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 2.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2764 2.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8318 3.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3232 0.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9071 -0.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5164 1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8908 5.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4795 7.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1645 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2608 4.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6722 2.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END