PUBCHEM-ZINC04157711 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 3.5180 1.5700 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.2740 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -0.9260 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -2.0940 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -2.1010 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.9400 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.2660 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.1990 0.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -2.4850 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -3.1340 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -4.4290 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -4.6650 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -4.2690 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -6.1470 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -3.8230 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -3.1550 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -2.6780 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -3.3030 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -4.4130 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -4.8910 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -4.2690 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -5.0310 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -6.2080 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -6.6250 1.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -6.9920 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 -6.5160 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4440 -7.2530 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5230 -8.4620 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -8.9400 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -8.2160 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5290 -10.2330 2.3340 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.6470 -10.9280 2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -10.6890 3.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5860 1.3730 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 2.2400 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 2.0360 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -0.9320 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -3.0240 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.1900 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -4.8060 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -5.0910 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.0500 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -3.3850 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -6.4280 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -6.3220 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -6.7460 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -2.8720 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -3.6400 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -4.3580 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -1.8180 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -2.9370 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -5.7520 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -4.6380 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 -5.5730 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2970 -6.8860 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4380 -9.0350 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -8.5920 2.2090 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 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 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 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 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 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 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END