PUBCHEM-ZINC05779099 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 1.5770 1.6660 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 0.2200 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -0.4750 1.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1850 -1.5390 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.1050 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.4280 3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.2580 3.5990 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -1.4280 4.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.0210 4.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -0.2720 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -0.4700 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -1.6660 -1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 0.2450 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -0.6950 -3.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.2130 -4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.9730 -5.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -1.1170 -6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -0.6350 -7.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -1.5450 -8.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -2.9280 -8.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.7740 -9.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -3.2580 -10.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -1.8910 -10.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -1.0320 -9.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 0.4300 -9.8600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7820 1.1180 -8.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.9440 -10.9100 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6430 1.8580 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 2.0880 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.1270 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.1940 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -0.2300 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.1840 4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -1.4730 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0960 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 0.6770 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 1.0060 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 0.7180 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -2.1700 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.4180 -7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -3.3320 -7.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -4.8420 -9.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.9250 -11.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.4960 -11.6850 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 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 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 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 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 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END