PUBCHEM-ZINC04533782 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.3510 2.0910 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 0.5800 0.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3860 0.3160 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.0620 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.5760 2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -0.0040 1.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -0.6470 2.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7150 -0.6310 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 0.0710 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 1.4430 3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 1.8580 3.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -2.1400 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -2.4520 1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.0150 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -0.1140 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 0.3240 -2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.8460 -1.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3960 -1.7020 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 0.0640 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -0.6850 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -1.5250 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -2.2430 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2710 -2.1250 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1730 -1.2870 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -0.5700 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.4590 -2.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -0.7620 -3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 0.4120 -3.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 -1.5300 -5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 2.5260 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 2.5510 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 2.3700 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 0.4490 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -0.5490 3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 0.1910 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -0.3860 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 0.5110 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 0.9220 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -1.6260 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2760 -2.8930 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1850 -2.6830 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0130 -1.1910 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 0.0810 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -2.4580 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -2.3980 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -1.8260 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.0170 3.7280 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8960 -2.8740 3.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4510 -0.6300 -6.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4790 -1.0240 -6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.4060 -5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 0.2680 -6.0430 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 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 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 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M CHG 1 49 1 M END