PUBCHEM-ZINC06494371 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0120 1.6340 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 0.1230 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0320 -0.3280 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.2500 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -1.3280 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -1.7040 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -1.0090 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 0.0500 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 0.4270 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -1.3680 1.4010 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.4340 0.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.6900 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.4620 -0.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -1.2160 1.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -1.6000 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -2.1150 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -2.5190 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -2.4140 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3630 -1.9090 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -1.5030 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 -1.8240 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 -2.2390 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 -2.7300 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 -2.7990 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 -3.2550 3.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6930 -2.1160 -1.4650 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9660 -2.6250 -0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -2.9720 -2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.8510 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 2.0630 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 2.1600 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -1.8840 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -2.5330 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 0.5760 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 1.2520 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.6330 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -1.3450 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -2.2190 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -2.9360 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -1.1140 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -1.4410 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0900 -3.0420 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 -2.8560 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -0.6850 -1.7490 O 0 5 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 4 1 0 0 0 0 2 11 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 44 -1 M END