IFLAB-ZINC02722149 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 1.2420 1.2630 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -0.2110 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.9480 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -2.2910 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.9000 -0.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2110 -2.2200 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.8610 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -3.0690 -2.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -2.8110 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -4.3060 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.1920 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -5.1800 0.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -6.3950 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -6.5760 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -7.5060 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -8.0150 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -9.0530 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -9.5900 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -9.0910 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -8.0570 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -7.5280 1.3050 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0760 -8.1410 1.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -6.4460 0.5570 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7930 -5.4660 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -5.7530 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -6.8800 -4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -7.7450 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -7.4750 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -6.3580 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 1.4090 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 1.7560 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.6910 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -0.4700 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -2.8660 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.3110 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -5.0200 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -7.5960 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -9.4470 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -10.4020 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -9.5160 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -5.0820 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -7.1020 -5.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -8.6350 -4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -8.1550 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -6.1520 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 5 1 M CHG 1 21 1 M CHG 1 23 -1 M END