IBS-ZINC01870855 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -2.9010 1.5340 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 0.1240 0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.3370 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 0.3420 -1.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -1.7980 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.4480 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -3.8370 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -4.5970 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -3.9440 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -2.5550 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -6.0610 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -6.8450 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -6.4610 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -5.3020 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -7.5910 -0.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -8.8190 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -10.3460 -0.3290 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -8.5710 -0.2400 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -7.4110 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -7.3310 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -7.1940 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 -7.1130 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -7.0030 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 -6.9250 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 -6.8690 4.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 1.7900 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 2.0820 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 1.8120 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -1.8820 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -4.3130 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -4.5110 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -2.0870 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -6.5310 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -8.2350 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -6.4880 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -6.4770 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -8.2270 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -8.0530 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 -6.2950 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -6.2470 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -8.0030 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -7.8690 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 -6.1070 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6920 -6.9250 3.8720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 44 -1 M END