PUBCHEM-ZINC06631903 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.1570 -0.3200 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -1.2850 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -0.5860 -0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9700 -0.0260 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -1.6680 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -1.7250 -2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 0.2980 -1.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 1.8250 -1.9050 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 2.4130 -2.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 2.5300 -0.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 1.4260 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 0.9690 -4.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 0.5980 -4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 0.6990 -4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 1.1860 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 1.5630 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.1870 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 1.5460 -1.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 0.6760 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 0.3810 -4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -0.1250 -6.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.3070 -6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 0.0270 -5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 0.5060 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 -0.1580 -5.6430 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9790 -0.0110 -4.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4110 -1.3460 -6.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5930 1.1870 -6.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 2.5630 -6.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1820 2.5350 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4610 3.5060 -6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7530 3.1780 -5.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0350 3.0390 -6.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7810 2.3560 -7.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 0.1850 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.4420 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -0.8620 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.0690 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -1.7860 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.2910 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 0.8670 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 0.2240 -5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.9190 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -0.3590 -6.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -0.6750 -7.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 0.7640 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 1.1680 -7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6450 3.4680 -7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 4.5400 -6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5340 3.8940 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 3.2310 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 2.1760 -5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -2.2950 -1.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3950 3.9760 -6.2330 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 53 1 0 0 0 0 7 8 1 0 0 0 0 7 40 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 -1 M END