PUBCHEM-ZINC03878791 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 0 0 0 0 0 0999 V2000 0.5080 0.3050 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -1.1140 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.7750 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -1.0570 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -1.6920 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -1.6390 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -0.9520 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -0.3180 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.3740 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 0.4320 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 0.2280 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 1.9230 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -0.8840 -1.1960 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 0.2770 -0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -1.1090 -2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 -2.1800 -0.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -2.0700 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -3.2250 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 -4.4980 0.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -4.5700 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 -3.4690 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 -5.5830 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -6.8810 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -7.9510 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -7.7320 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2480 -6.4410 3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 -5.3660 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 -8.8810 4.3200 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2320 -10.0190 3.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -8.6900 5.4920 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2790 -2.3300 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -1.4280 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -3.6460 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 0.2640 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 0.7770 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 0.8870 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.6950 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.1940 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -2.7860 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -1.8170 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.2280 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 0.1180 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 0.0560 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 0.7700 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -0.8340 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 0.6040 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 2.0680 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 2.4650 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 2.2980 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -1.1200 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -2.1320 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -3.1040 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -3.2250 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -4.4300 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -5.5450 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4430 -3.6630 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -3.4430 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -7.0530 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -8.9600 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -6.2740 4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 -4.3580 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -2.5360 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2230 -3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -1.9280 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -0.4900 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -4.2890 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -4.1460 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -3.4410 -2.4820 H 0 0 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 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END