MMs00029505 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 61 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 1.5000 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.3092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8441 2.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 3.9073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 1.3160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0272 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3999 1.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 1.3364 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6440 2.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2558 -1.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 -1.2685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0117 -2.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 -2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 -3.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 -5.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -6.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 -7.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9881 2.6388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 2.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 3.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7322 3.9548 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4763 5.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -1.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 -0.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 4.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 4.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 3.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3394 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6146 1.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9471 2.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9157 0.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9226 -0.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 -2.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -3.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6903 -4.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1007 -4.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -5.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3834 3.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1028 4.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4353 5.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5183 4.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 6.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 5.8525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2793 -6.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8840 -7.4943 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 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 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 20 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 60 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 60 61 1 0 0 0 0 M END