PUBCHEM-ZINC05419876 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -3.9690 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -4.4240 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -5.8870 -3.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -6.5160 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -5.8690 -5.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -7.9900 -4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -8.7390 -3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -10.1150 -3.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -10.7620 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -10.0350 -6.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -8.6490 -5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -10.7360 -7.1410 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1780 -11.9530 -7.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -10.0950 -8.0460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -4.3600 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -4.3440 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -4.0490 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -4.0330 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -6.4040 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -8.2390 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -10.6920 -3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -11.8410 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -2.5010 -2.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -2.1270 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -7.9330 -6.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -7.7180 -6.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 36 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 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END