IFLAB-ZINC04163780 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.9080 0.4520 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -0.3030 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -0.5060 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -1.3760 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -1.9540 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -2.7700 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -3.0160 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.4570 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.6450 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -0.9810 -0.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.9970 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.0190 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -0.5100 3.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 1.2500 2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 2.2400 2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.1300 4.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 2.1900 4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 3.2160 5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 4.3310 6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 6.6440 7.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 7.2180 8.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 5.9930 8.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 4.8960 7.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 1.5120 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 0.0740 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 0.3590 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.7710 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -3.2140 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -3.6510 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -2.6520 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 0.2640 4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 2.6680 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 1.7260 5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 2.7100 6.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 3.6400 4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 4.8550 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 3.9600 6.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 6.3910 7.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 7.2700 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 7.6660 7.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 7.9820 8.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 6.1490 9.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 5.7230 9.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 4.8010 7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 3.9320 8.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 5.3550 6.7020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3990 5.6070 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END