PUBCHEM-ZINC02674128 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.1070 0.7590 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -0.6180 -2.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.9160 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -2.2780 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -2.7220 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -1.8160 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -0.4450 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 0.0020 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -2.2960 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -1.6170 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 -2.1280 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -3.3280 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5650 -3.9230 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4340 -5.1170 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 -5.7360 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -5.1500 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 -3.9590 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.4610 0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7510 -1.3790 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7600 -1.9750 -0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 -0.0210 0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6770 0.9750 0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.3600 0.5550 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4410 1.4100 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2890 0.2950 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1560 0.7180 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9690 1.8790 3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0100 2.2670 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 2.3630 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 0.8230 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.2290 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 1.2900 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -3.0050 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -3.7940 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 0.3090 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 1.0720 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 -0.7180 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -3.4560 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3000 -5.5570 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 -6.6680 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -5.6390 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 0.4180 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7320 1.7790 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0960 2.2560 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9550 -0.1190 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6420 -0.5180 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9690 -0.1690 3.4910 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.7620 3.0370 -1.2030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END