MMs02531598 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 62 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 0.7564 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 -1.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 -2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -3.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -5.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -5.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 -3.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -2.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 -3.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5127 -2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 -1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0127 -2.5538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4127 -3.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 -3.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -3.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0126 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2562 -1.2437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7563 -1.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 0.0590 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 -0.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6971 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7435 1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2345 1.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5391 2.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2364 3.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1266 2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6579 3.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2436 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 -6.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5382 -7.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 -9.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 -1.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 -3.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -6.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -1.5338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 -4.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6434 -4.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9832 -5.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0664 -5.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 -4.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9357 -3.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9281 -1.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6266 -0.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9588 -0.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 4.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4829 3.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3558 -0.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0509 -0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1314 1.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 -7.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6228 -8.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -9.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8997 -10.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3309 -8.4623 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 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 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 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END