PUBCHEM-ZINC05543186 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1380 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.4860 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8660 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.6300 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0060 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.7530 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -3.0960 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -3.9290 -1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -4.2960 -3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -5.0950 -4.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -5.5500 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.3070 -6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -6.7560 -7.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -6.4520 -7.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -5.6990 -6.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -5.2420 -5.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -6.9360 -8.9040 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9730 -7.6000 -9.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -6.6700 -9.1420 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3790 -3.9870 2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -4.5590 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 0.3400 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 0.5960 5.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 1.7590 5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.9540 6.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.0510 7.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.0760 7.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -0.3390 6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -1.5220 6.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 1.2920 8.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2160 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.3490 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.1850 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -3.6730 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -4.8400 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -3.3520 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -3.3860 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -4.8740 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -5.3070 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -6.5450 -6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -7.3450 -8.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -5.4640 -6.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -4.6500 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -4.2470 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -5.6460 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -4.2210 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.1970 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.2910 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 2.5010 4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -1.7050 5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -2.1660 7.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 2.1140 8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 0.6390 8.9140 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END