PUBCHEM-ZINC02158576 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9620 -2.0270 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -3.8910 -2.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9370 -4.2240 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -4.4430 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -3.8960 -3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -2.6760 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -1.8800 -2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -0.7930 -2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -4.6620 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -5.1820 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -5.8880 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -5.9480 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 -5.1110 -5.9370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.3840 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -5.1340 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -5.5860 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -5.2890 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -4.5390 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -4.0830 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -5.7740 -2.6760 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4130 -6.4350 -1.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -5.5120 -3.6340 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 2.2720 -5.5310 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -4.1450 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -2.3110 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -5.0490 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 -6.3610 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -6.4630 -6.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -5.3660 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -6.1720 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -4.3080 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -3.4940 -4.4510 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 2 32 1 0 0 0 0 2 33 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 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END