PUBCHEM-ZINC04664681 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 0 0 0 0 0 0999 V2000 0.1960 1.8420 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.3300 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -0.3310 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -1.8520 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -2.5120 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.0310 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -4.5570 3.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -5.9200 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -6.8280 2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -8.2160 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -8.7000 4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -7.7920 5.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -6.4040 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -5.4780 6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -5.6190 6.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -4.6310 7.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -3.6780 8.1380 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7420 -10.0630 4.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -10.5890 5.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -12.1070 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -12.7680 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -14.2880 6.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -14.9490 7.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -16.4610 7.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -9.1420 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -9.0000 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -9.9890 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -10.9440 -0.2400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1960 2.2640 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 2.2930 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 2.1250 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -0.0570 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 0.0810 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.0620 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.0760 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -2.2450 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.1070 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -2.1220 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.2590 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -4.4270 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -4.2870 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -6.4750 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -8.1450 6.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -4.6260 6.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -6.4400 6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -10.1910 5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -10.3340 6.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -12.4990 5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -12.3600 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -12.3730 6.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -12.5140 7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -14.6830 6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -14.5420 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -14.5600 7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -14.7020 8.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -16.7420 6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -16.9120 8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -16.8850 7.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -9.9950 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -8.1790 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -4.9100 8.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -9.7070 -0.6910 O 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 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 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 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 61 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 62 2 0 0 0 0 M CHG 1 17 -1 M CHG 1 28 -1 M END