MMs00029886 MOE2007 2D CORINA 3.40 0006 02.08.2006 76 80 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 0.4692 -1.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 -2.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4789 -3.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -1.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 -0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 0.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 -1.6006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 -0.7141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1091 1.2551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2606 2.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 0.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -1.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4956 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2404 1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2508 -1.2449 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0508 -1.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 -2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2612 -3.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7612 -3.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5060 -2.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7508 -1.2389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9508 -1.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4956 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7404 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9956 0.0691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8821 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3068 -0.6717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3068 -1.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3008 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8724 1.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7209 2.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4032 2.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9347 3.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5239 -1.5485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8917 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0426 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1088 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1148 -3.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5432 -3.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4200 -2.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5335 -1.3405 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5669 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0329 3.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 0.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 1.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 -0.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 -2.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -4.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -4.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 -2.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 0.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 1.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 -2.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6396 -1.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0448 -2.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 -3.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1352 -4.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 -5.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5575 -5.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8904 -4.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4283 -3.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9641 -2.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 -1.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3746 -2.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4947 0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5456 2.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4032 -2.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1468 -4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -4.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6200 -2.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4024 3.8296 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5588 3.7942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 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 51 1 0 0 0 0 4 5 1 0 0 0 0 4 52 1 0 0 0 0 5 6 2 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 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 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 38 1 0 0 0 0 33 34 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 36 75 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 42 72 1 0 0 0 0 43 44 2 0 0 0 0 43 73 1 0 0 0 0 44 45 1 0 0 0 0 44 74 1 0 0 0 0 46 47 2 0 0 0 0 46 76 1 0 0 0 0 M CHG 1 75 -1 M CHG 1 76 -1 M END