MMs02745396 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 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 1.3276 0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 2.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 2.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 2.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 4.4965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8618 3.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 5.3296 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0178 6.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 6.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 8.0799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 5.4253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 5.0184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 3.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 6.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2574 3.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7011 2.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7754 3.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4059 5.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9622 5.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 4.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8036 3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0652 4.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7805 0.4383 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 6.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 7.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9267 8.1313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 6.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 5.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 1.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 -0.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 -1.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 -0.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 2.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9967 1.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9304 3.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2653 6.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6666 6.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 3.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 0.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0035 3.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 5.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 7.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 9.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3796 6.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 5.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M END