PUBCHEM-ZINC01132560 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 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.0420 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.5600 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.9610 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4990 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -2.7450 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -2.3310 -3.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -3.2160 -4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -2.9070 -5.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -4.6320 -3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -5.7900 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -7.0370 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -8.3370 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -9.2780 -3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -8.6010 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -7.2760 -2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -9.2250 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -10.6280 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -11.2180 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -10.4410 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -9.0580 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -8.4460 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -8.2430 1.7280 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2060 -8.8300 2.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -6.9310 1.6880 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4830 -4.5120 -2.2790 S 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 1.7730 -0.1540 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.1410 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4030 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.4010 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.2780 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.6450 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.2240 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.0490 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -5.7170 -5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -8.5100 -5.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -10.3460 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -11.2340 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -12.2930 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -10.9160 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -7.3700 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 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 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END