MMs03421369 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 0.7425 -1.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9851 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -2.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 -3.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7275 -3.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 -5.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -6.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4552 -7.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 -2.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7424 -1.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 -2.6496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3850 -1.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7275 -3.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 -1.3635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6424 -0.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9849 -2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4849 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2274 -3.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7274 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4699 -5.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7125 -6.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2125 -6.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4700 -5.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2573 1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 -0.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2572 1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7572 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 -0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -1.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 -2.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 -3.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -3.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 -1.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 -2.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 -4.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3849 -6.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2062 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 -4.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2488 -3.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 -2.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1865 -3.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2833 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6148 -2.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3333 -2.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 -5.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3065 -7.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6066 -7.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 -5.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1320 1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4724 2.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7503 0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9572 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7641 2.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 -6.5252 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7424 -1.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 -0.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 59 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 60 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 16 60 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 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 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 59 -1 M END