MMs02594728 MOE2007 2D CORINA 3.40 0006 02.08.2006 46 47 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 0.7411 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -1.3144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6410 -0.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 -2.6186 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5821 -1.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 -3.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -5.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -2.6288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 -5.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7231 -3.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -2.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7231 -3.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9642 -5.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -5.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 -3.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9819 -2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4747 -2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4708 -3.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7967 -1.0686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5028 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3562 1.1831 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3812 -1.3058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1711 -0.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 -0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 -1.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -2.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 0.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0892 -1.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -1.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 -1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5571 -6.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 -6.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8159 -5.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6517 -1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2707 0.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6906 0.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 -3.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1162 -4.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 45 1 0 0 0 0 10 11 1 0 0 0 0 10 36 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 26 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 27 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 45 46 1 0 0 0 0 M END