PUBCHEM-ZINC04688031 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.4550 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0030 -0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.7150 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -0.0430 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.7610 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -2.1490 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -2.8150 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -2.1030 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.8200 -0.2420 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1760 -3.8200 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -2.4110 0.3400 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8140 -0.0880 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -1.0360 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -0.2760 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3770 0.8170 -0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 1.7280 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 0.8890 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7860 1.0160 -1.2030 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 1.7320 -2.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4260 -0.2520 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8190 2.0820 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7550 3.4500 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5650 4.2870 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4420 3.7550 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5050 2.3840 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6980 1.5490 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2340 4.5720 1.9630 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.8370 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 1.9200 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 1.6890 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -0.4600 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 1.0360 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -2.7080 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -3.8940 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.5330 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -1.7790 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 -0.9530 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 0.1360 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 2.3760 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 2.3320 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 1.5420 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.3650 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0710 3.8660 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 5.3560 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1880 1.9680 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7500 0.4790 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END