PUBCHEM-ZINC03873918 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.2510 2.1670 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 0.6370 -0.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6470 0.0080 0.8530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8740 0.7200 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -1.1790 1.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1330 -1.3120 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.6000 1.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6300 0.1920 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -1.6630 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 0.3180 2.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 0.2980 3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 1.2880 4.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 1.9540 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 1.3550 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 1.7280 1.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 2.8100 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 3.5020 2.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 3.0830 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 3.7800 4.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.2150 0.5990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8810 -0.4590 0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -1.4230 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.1940 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 0.4740 -2.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2610 1.5480 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -0.1120 -4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 0.3070 -5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.3800 -6.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4390 -1.4710 -6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 0.0860 -7.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 0.4500 -8.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 2.5700 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 2.6240 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 2.5010 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -2.3270 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -1.2000 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.2680 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.4510 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 3.1750 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 3.4750 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 4.5860 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 0.6730 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.8850 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 0.2210 -4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.2080 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 0.0720 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 1.3980 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 0.0660 -7.3480 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0400 -7.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6150 -0.8340 -7.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.7790 -6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 0.2660 -8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -0.1500 -2.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1800 0.1720 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 0.0840 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -1.1760 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 48 -1 M CHG 1 49 1 M CHG 1 53 1 M END