PUBCHEM-ZINC05791309 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.9000 2.7730 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.2890 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.0340 -0.5110 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7020 1.1020 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 1.4040 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 1.3920 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 1.0840 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 0.7830 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 0.7890 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 0.5410 -2.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 0.2970 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.6990 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 0.5230 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.8390 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 0.5870 -3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 0.0590 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -0.1340 -1.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -0.2970 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 0.0160 -3.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 -0.9720 -1.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -1.3500 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -1.3270 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -2.6780 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -3.8230 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 -5.0620 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -5.1580 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9170 -4.0130 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 -2.7730 -3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 3.3710 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 3.0420 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 2.9630 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 1.0200 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 0.6910 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 1.6460 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 1.6260 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 1.0790 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 0.5440 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.2560 -4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 0.7890 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -0.5100 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -2.2020 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -1.6200 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4990 -1.3600 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -0.5800 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 -3.7480 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4460 -5.9570 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 -6.1270 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1500 -4.0880 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8000 -1.8790 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 3 1 M END