PUBCHEM-ZINC02137020 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 1.0580 0.2580 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.7940 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -0.9750 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.4160 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 0.7270 -0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -1.5110 -0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -1.6350 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -0.4520 -0.8020 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -2.8730 0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -3.6660 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -3.5130 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 -4.3710 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -5.3990 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -5.5790 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -4.7180 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5690 -6.5010 0.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6590 -6.8830 1.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6440 -5.6290 -0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 -7.6970 -0.7650 N 0 5 0 0 0 0 0 0 0 0 0 0 -7.4320 -8.1750 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -0.0470 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 0.4030 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 1.2280 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -1.7450 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -1.7710 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.2390 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.0560 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -2.3720 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -3.2660 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -2.7600 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8580 -4.2430 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -6.3790 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -4.8770 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 1 19 -1 M END