PUBCHEM-ZINC05887632 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 1 0 0 0 0 0999 V2000 -1.4910 -0.2790 -2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.6980 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.7360 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -3.0900 -0.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -3.3700 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.5020 1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -4.8400 0.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5240 -5.0900 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -5.8500 0.6290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4330 -5.5100 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -7.2270 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -7.7900 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -7.7870 2.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -7.3070 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -9.0880 2.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4010 -9.7530 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -9.0360 3.9650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2820 -9.8260 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -9.3650 3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -7.7130 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -7.3600 5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -9.6220 3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -8.8480 2.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -10.9660 3.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -12.0160 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -13.2770 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -13.0200 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -11.5110 3.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4470 -11.2890 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -11.0230 5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -10.4430 5.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -6.0880 -1.1630 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -4.8740 2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 0.3510 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.2750 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 0.1720 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -2.3130 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.1360 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -1.1450 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -1.3220 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -3.8540 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -8.5770 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -9.4730 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -10.3090 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -7.7930 5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -6.8810 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -6.4790 6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -7.1190 4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -8.1790 5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -11.8490 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -12.0420 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -13.3760 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -14.1830 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -13.6060 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -13.3090 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -6.8310 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -3.9640 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -11.3050 5.5020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M CHG 1 58 -1 M END