PUBCHEM-ZINC05902512 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -1.1900 1.8570 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.5110 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.3210 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -0.1840 2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.2760 3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -2.4590 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5660 1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.4830 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.3680 -0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1630 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.4150 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -0.6460 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -1.2450 -5.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -0.6730 -6.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 0.2590 -6.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 1.3690 -6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 0.9100 -4.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -3.5810 4.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -3.7200 5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -2.9370 5.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -4.9910 5.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -5.6170 6.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -6.8140 7.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -7.3740 7.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -6.7430 6.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -5.5450 5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -8.6310 7.9430 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4000 -9.1750 8.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -9.0770 7.8010 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4700 2.4890 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 1.8270 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 2.2570 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 0.7220 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.1600 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -3.4660 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 0.8240 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.2410 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -1.0160 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.4940 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -1.9130 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -1.7660 -5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -1.4810 -7.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.1820 -7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 2.0500 -6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 1.9090 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 0.4080 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 1.7560 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -4.3620 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -5.1760 6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -7.2870 8.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -7.1590 6.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -5.0500 5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.1050 -4.4520 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0260 0.3560 -4.7000 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 53 1 M END