PUBCHEM-ZINC05999300 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5120 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -2.0410 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.5950 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -1.9990 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.5350 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -2.9580 -0.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -2.1870 -2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -4.2230 -0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -3.2140 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -2.3370 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 -2.5310 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -3.6020 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -4.4900 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -4.2910 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -5.6400 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 -5.9530 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 -7.0720 3.1770 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6030 -7.7530 3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -8.8730 4.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -9.3230 4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -8.6130 3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -7.4730 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -6.5960 2.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -6.6400 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -0.1150 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.1800 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.3740 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -2.4010 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -3.6780 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -2.3390 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -0.2590 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -1.4980 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 -1.8430 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -3.7520 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -4.9770 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7700 -5.4010 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 -7.4090 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9860 -9.4090 5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -10.2090 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -8.9360 3.7400 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 4 1 0 0 0 0 2 8 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 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 20 1 M END