PUBCHEM-ZINC05919617 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 0.5850 1.6750 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 0.2100 0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3580 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.4430 1.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1750 -0.1370 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.0470 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -0.9120 1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.9230 1.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.6310 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -2.0790 1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -4.1090 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -4.7830 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -6.1800 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -6.9110 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -6.2430 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -4.8420 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -6.9620 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -6.4250 2.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -8.2320 2.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -9.0840 3.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9620 -8.4850 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -9.4610 2.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1160 -9.7100 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -10.6070 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -8.3380 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -7.5240 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -10.3490 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -10.6650 3.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 0.1790 0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -0.6740 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 1.8040 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 2.0880 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 2.2770 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -2.3670 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -4.2490 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -6.7020 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -7.9960 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -4.3190 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -8.6980 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -10.4000 3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -10.7260 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -11.5580 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 1.0480 2.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4620 -10.8770 4.9550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M END