PUBCHEM-ZINC02978957 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 57 0 0 1 0 0 0 0 0999 V2000 -0.5580 1.3450 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -0.1410 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.0000 -4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -2.3840 -3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -2.9200 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -2.0720 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -0.6870 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -4.3940 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -5.0440 -3.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -4.8930 -1.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -6.2300 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -6.5760 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -7.9380 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -8.8410 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -10.1410 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -10.5460 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -9.6360 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -8.3340 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -10.0470 2.8150 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3040 -11.2590 3.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -9.1580 3.3130 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2150 -7.2970 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -7.9980 -2.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -7.3950 -2.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -6.7320 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -8.3680 -3.6630 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2510 -8.5890 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -9.6420 -2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -10.5520 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -11.6710 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -11.1610 -3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -7.7890 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -6.8070 -3.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 1.6780 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.8670 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.6370 -4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -0.5970 -4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -3.0410 -4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.4660 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.0330 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -4.2280 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -5.8080 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -8.5450 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -10.8370 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -11.5630 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -7.6330 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -9.3460 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -10.2410 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -9.9690 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -12.3030 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -12.3100 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -11.2570 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -11.8390 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -11.7320 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -10.3920 -3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -8.3610 -5.4940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 56 -1 M END