PUBCHEM-ZINC04684348 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.3160 0.1760 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.7060 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2870 -1.3120 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.1570 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -0.3210 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.1010 3.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.2840 1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -1.5830 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.4200 -0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -1.9300 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -1.7440 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -2.3780 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -3.2030 2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -3.3890 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -2.7580 2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -4.2680 4.2760 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8910 -4.4310 4.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -4.8280 4.6020 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2270 -3.8460 2.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 -4.7340 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 -5.8380 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7950 -5.3300 2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4150 -4.8420 4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 -3.3340 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -2.8880 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 0.8440 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.4540 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 0.7650 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.0230 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 1.2140 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -1.1020 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 -2.2330 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -2.9060 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 -4.1470 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -5.1430 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 -6.4690 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -6.4300 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2340 -4.5120 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 -6.1440 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2410 -5.0390 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -5.3970 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0240 -2.7710 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5350 -3.1130 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 -1.9300 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -2.7650 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 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 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END