PUBCHEM-ZINC05633252 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.7090 1.5690 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 0.3930 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.0400 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -0.7270 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -1.6620 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -1.6980 -2.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -2.5630 -0.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -3.6620 -1.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6480 -4.0550 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -3.2320 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -2.3770 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -1.0120 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -0.6150 -3.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 0.3360 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -1.6980 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -2.8200 -3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -4.0780 -4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -4.1650 -5.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -3.0250 -6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -1.7680 -6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -4.8020 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -4.4240 1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 2.4270 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 1.8850 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.3020 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.7190 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8700 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 0.7870 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -0.3770 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -0.8400 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -2.5450 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -4.1080 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -2.6920 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -0.2920 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -4.9700 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -5.1330 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -3.1130 -7.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -0.8820 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -5.9460 -0.4780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 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 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 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 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END