PUBCHEM-ZINC01177274 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.1900 1.5000 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 0.0150 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -0.5920 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -1.9560 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.7240 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -2.1460 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.7710 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -0.1330 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.7230 -3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -1.9120 -3.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 0.2520 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 1.2140 -5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 2.1580 -6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 2.1350 -6.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.1620 -6.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.2220 -5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -0.9010 -5.0710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 3.2520 -8.0040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 3.3920 -6.3750 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 3.1780 -7.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 2.9790 -5.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 4.8020 -5.9960 N 0 5 0 0 0 0 0 0 0 0 0 0 0.5640 4.9680 -6.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -4.1550 -0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6850 -4.5560 0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -4.8820 -0.8380 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2350 1.7080 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 2.0110 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.9280 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.0030 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -2.3970 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.7720 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 0.8730 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 1.2190 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 1.1430 -6.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 24 1 M CHG 1 26 -1 M END