PUBCHEM-ZINC01473295 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 1.2470 1.6710 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 0.4000 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.0630 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.3030 -0.3660 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1330 -1.7970 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -3.7900 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 -3.8780 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -5.0430 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -6.2320 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -7.4150 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -7.4130 -3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -6.2260 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -5.0510 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -3.8270 -4.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7820 -3.4880 -5.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -3.2190 -3.6650 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1030 -1.6670 0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -1.9400 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.4190 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.0190 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.8040 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -1.3320 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -0.7330 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -0.9540 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 1.4700 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 2.3950 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 2.1440 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 0.5790 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.0130 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.1740 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -2.7410 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -4.2560 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -4.2910 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -6.2440 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -8.3430 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -8.3400 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -6.2320 -5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 0.6660 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -2.0940 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -0.5580 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -1.3010 5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 0.2670 4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.4250 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -1.1040 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -1.1810 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 0.3420 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.4570 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -2.0260 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.6380 0.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8130 -0.5410 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 38 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 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 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 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 49 1 M END