PUBCHEM-ZINC04781598 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 2.4900 0.2700 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 0.0400 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.6300 -1.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1150 -0.0490 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -2.1100 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.7680 -1.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -4.1280 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -4.8110 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -6.1790 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -6.8760 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -6.2030 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -4.8330 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -4.0900 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -4.7150 -0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -2.7060 -1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.9510 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -2.2420 -1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -1.5130 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -0.5050 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -0.2290 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -0.9530 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 0.1280 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 1.0620 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -1.1330 -4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.2730 -5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 0.5380 -5.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6230 -0.1930 -5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.6380 -3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 1.8850 -5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 0.9020 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -0.6710 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 0.7750 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 1.0160 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -0.5560 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -4.2740 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -6.7000 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -7.9400 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -6.7480 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -3.0320 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -1.7430 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 0.5340 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.7460 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 0.5860 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.9220 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 1.4290 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -2.1170 -4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.4490 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -1.5240 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.0250 -5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 1.4250 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 0.9390 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 2.6230 -5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 1.7950 -6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 2.2760 -5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -0.6500 -3.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 0.0320 -6.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9810 0.7270 -6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.0840 -7.1570 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 55 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 55 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 M CHG 1 56 1 M END