PUBCHEM-ZINC05979671 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -2.3310 1.8490 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 0.6650 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -0.3160 1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -1.4430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -1.6710 0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -2.3820 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -3.6470 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 -4.2490 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 -4.6730 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -4.0360 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 -4.9910 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1190 -6.1440 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8130 -5.9620 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -6.0640 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -6.7230 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -7.1510 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -7.7460 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -8.1920 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -8.7790 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 -8.9210 5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -8.4780 5.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -7.8910 3.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -7.4790 3.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -6.9170 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 2.6270 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 2.2750 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 1.5390 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 0.9850 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.2350 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -2.6290 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -1.8670 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -3.4520 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -4.1520 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -4.6990 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 -3.1620 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 -3.0120 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6630 -4.8560 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5210 -7.1270 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -6.0770 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -6.6220 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -7.0330 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -8.0840 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -9.1260 5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 -9.3790 6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -8.5930 5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -6.6180 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.6140 0.2180 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7760 -4.5530 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 47 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 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 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 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 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END