MMs02743559 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 63 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 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7433 1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 2.6290 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2432 1.3415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9865 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4865 2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7431 1.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9998 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7431 1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9864 2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4864 2.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7298 3.9628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 5.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2298 3.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4731 5.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7297 3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2431 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 -1.2565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4566 -1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7656 -1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 -2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8737 -2.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -2.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -2.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 2.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 2.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 3.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1888 3.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6485 0.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9052 -0.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6051 -0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7720 3.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3243 5.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6874 4.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2493 0.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4431 1.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2369 2.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9151 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -0.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7594 -0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5716 -1.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -2.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9789 -3.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0639 -4.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -4.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 -0.4871 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 59 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 59 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 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 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M END