PUBCHEM-ZINC04521154 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 53 0 0 0 0 0 0 0 0999 V2000 -0.4390 1.3060 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.1930 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.8090 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -0.9060 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.4460 -1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 0.0420 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 0.7170 -0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -0.3470 -2.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 0.0110 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -0.5580 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -0.1770 -3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -0.7490 -5.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0940 -0.3690 -5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -0.9420 -6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0730 -0.5620 -7.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5890 -1.1360 -8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0520 -0.7570 -8.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5680 -1.3300 -9.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0270 -0.9550 -10.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6340 -1.4850 -11.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8770 -2.1690 -12.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 1.8570 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 1.7450 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 1.4870 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.7610 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.8580 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -0.2960 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -0.5160 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -1.9770 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -0.7870 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.9060 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 1.1050 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -0.3640 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -1.6510 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.1890 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 0.9150 -4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -0.5500 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 -1.8420 -5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -0.3760 -6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1930 0.7240 -5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7110 -0.7410 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 -2.0340 -6.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 -0.5680 -7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 0.5300 -7.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6890 -0.9350 -6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 -2.2280 -8.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 -0.7620 -9.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1520 0.3350 -8.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6670 -1.1310 -7.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 -2.4220 -9.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9500 -0.9580 -10.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1260 0.1380 -10.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6410 -1.3300 -9.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8450 -1.1620 -11.7080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 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 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 M CHG 1 54 -1 M END