MMs02948645 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 0.6769 -1.3386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -3.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0493 -3.7369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 -2.9031 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0322 -4.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 -4.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4549 -3.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 -5.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5385 -6.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4789 -4.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9612 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5030 -6.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5625 -7.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0803 -7.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1399 -8.7282 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 -0.9130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 -2.2410 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8599 -1.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 1.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -3.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 -4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0398 -5.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 -5.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0639 -4.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1234 -3.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 0.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5415 1.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -0.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 -4.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -5.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3039 -6.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0455 -3.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7135 -4.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6888 -6.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9960 -8.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 0.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -2.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 -3.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -1.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 0.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9136 -4.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 -7.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2744 -6.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2497 -4.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5569 -2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 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 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END