MMs02744596 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 -1.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 1.2677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 2.6408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8416 3.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2716 3.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5671 2.8833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2485 1.4175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4076 1.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7753 -2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7141 -0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7156 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2425 -3.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 2.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 4.3882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 4.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 3.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 3.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 5.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 6.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 6.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 -2.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 -2.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 2.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 4.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9814 4.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 -1.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3992 -3.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 -0.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 1.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0367 5.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 5.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 2.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5276 3.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 2.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 3.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2298 4.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 6.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 7.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 6.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 7.3347 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 8 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 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END