PUBCHEM-ZINC04550618 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 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 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.6040 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.8360 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4520 -3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -2.4390 -4.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -1.5860 -5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -2.4390 -6.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8900 -3.1390 -6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -1.5310 -7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -2.3540 -8.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -1.7660 -9.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -0.5530 -9.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 -2.5940 -10.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 -3.9880 -10.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -4.7570 -11.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 -4.1490 -12.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 -2.7630 -13.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 -1.9870 -11.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 -2.1210 -14.2550 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1110 -0.9060 -14.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 -2.8070 -15.1730 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9940 -4.9110 -13.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -6.3280 -13.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -3.1650 -5.8360 O 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 0.2240 -2.5900 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6820 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.1470 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 1.2390 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.9660 -5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -0.9480 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -0.9130 -7.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -0.8910 -7.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -3.3210 -8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -4.4610 -9.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -5.8340 -11.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -0.9100 -12.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 -6.6140 -12.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -6.6360 -13.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3370 -6.8170 -14.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -2.6040 -5.4730 H 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END