PUBCHEM-ZINC03613783 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.5150 1.4710 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.0720 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.7250 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.0980 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 1.3000 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 2.1180 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 3.5930 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 4.2910 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 5.6630 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 6.3330 0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 5.5850 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 4.2360 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 6.2820 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 7.6850 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 8.3530 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 7.6350 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 6.2390 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 5.5760 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 8.2270 0.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 9.5820 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 10.5090 0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 9.7910 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 11.2570 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 11.4670 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9950 10.4250 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.1370 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -2.9760 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.6300 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.4350 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -5.4140 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -6.8800 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -7.0950 -0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 2.0600 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.3610 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -0.6850 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 1.7340 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 3.8050 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 6.2840 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 8.2860 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 9.4380 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 5.6410 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 4.4870 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 7.5860 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 9.3140 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 9.2640 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 11.7330 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 11.7840 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -2.5910 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -4.5950 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -4.6050 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -5.2490 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -5.2380 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 12.6790 1.1500 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6300 -7.7080 -1.2610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 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 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 -1 M END