MMs01238247 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 72 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 0.7559 -1.2956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -1.2889 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 0.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2626 -2.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 -1.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0117 -2.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 -2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2558 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0116 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4077 -3.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5270 -4.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3769 -6.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8226 -4.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5041 -2.7075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6632 -3.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5028 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0315 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5001 0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9700 -0.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9714 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4386 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4373 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9673 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9660 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4346 2.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9046 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9059 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -4.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 -6.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1497 -7.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3132 -8.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6862 -9.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 -8.3632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7323 -6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9419 -4.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 -2.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5836 -3.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0537 -3.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 1.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5952 1.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6164 -3.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -3.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8579 0.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6555 2.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2990 1.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3474 -3.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7924 1.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 3.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2335 3.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0795 0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2819 -1.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4807 -3.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3931 -4.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0512 -6.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -9.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 -10.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6999 -6.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5763 -5.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 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 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 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 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 40 2 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 41 67 1 0 0 0 0 42 68 1 0 0 0 0 M END