PUBCHEM-ZINC04534315 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 1 0 0 0 0 0999 V2000 0.1590 1.4480 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -0.0600 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.4970 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0140 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -2.5070 -2.8050 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -4.3060 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -5.0770 -3.8120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9810 -4.9120 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -6.5670 -3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -7.1110 -3.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -7.2000 -2.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -8.5910 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -8.9510 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -8.0270 -1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -4.7200 -5.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -4.6540 -6.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -4.8710 -6.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -4.3080 -7.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -4.2150 -8.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -3.9830 -10.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1090 -3.1330 -9.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -3.7940 -11.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -4.6840 -12.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 1.7970 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.9640 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 1.7380 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.5450 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.3790 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 0.0000 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -0.1670 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -2.5100 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.3430 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -4.6560 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.4790 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -6.7460 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -8.7380 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -9.2300 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -4.5520 -5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -5.0800 -7.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -3.3520 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -3.3970 -8.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -5.1270 -8.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -10.0990 -0.8560 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6160 -2.8770 -11.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9590 -5.1990 -10.3690 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0410 -5.0180 -10.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -6.0490 -9.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -5.3730 -11.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 1 M END