PUBCHEM-ZINC06487349 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.0390 1.4400 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0660 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.8010 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.1830 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -2.8290 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.0940 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.7120 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -4.5900 -0.0650 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9390 -1.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -5.0320 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -5.0940 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -4.6910 -1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -5.1580 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -4.8390 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -5.9990 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -7.1250 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -7.8820 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -7.4790 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 -6.4010 2.2610 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7760 -5.6950 1.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -6.0130 3.5760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0630 1.8120 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.8320 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.7650 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.2970 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.7570 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5980 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.1380 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -5.6690 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -5.6020 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -4.8210 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -3.8650 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -7.3960 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -8.7610 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -8.0470 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END