PUBCHEM-ZINC05966560 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.0180 -0.8730 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -1.2280 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.0770 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.4430 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 0.1190 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.5610 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 1.7750 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 2.1780 -0.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.3950 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 2.3100 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 2.7170 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2810 2.7540 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 2.3810 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 1.9730 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 1.9490 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 1.6120 1.8880 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5960 1.2130 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 3.1790 -1.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6780 3.3390 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1520 3.2170 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5920 3.7430 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6200 4.6450 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5020 5.0430 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3760 4.5390 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 3.6250 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4690 3.2230 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 5.0100 -4.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2280 4.5240 -5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -0.6150 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -1.7260 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.0270 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -1.4980 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -2.0600 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 0.5570 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.1110 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 1.4730 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -0.1690 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 0.4380 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.2010 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -0.5690 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 2.2240 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.9390 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 2.9920 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 2.3990 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 1.6970 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 0.5480 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 2.1100 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 0.6770 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1050 3.4020 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7380 5.0430 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 5.7490 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2350 3.1970 -5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7120 2.4820 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3850 3.4410 -6.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 4.8020 -6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0320 4.9950 -6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -0.0240 0.7970 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1050 0.8070 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 57 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 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 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 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 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 16 1 M CHG 1 57 1 M END