PUBCHEM-ZINC03657055 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.1560 -0.2310 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 0.2050 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 1.5550 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 2.4500 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 2.0120 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.6750 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.2150 3.3980 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3300 -0.9620 3.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 1.0130 3.7860 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1760 3.8830 1.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1050 4.2700 0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 4.6740 1.4830 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.7600 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -0.4660 0.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -1.9650 0.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -2.4910 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -3.8880 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -3.8350 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.9770 -0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8850 -3.5920 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -2.3120 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -1.2520 -1.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -2.8940 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -2.2470 -1.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2850 -1.7390 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 -3.3040 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -4.2370 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -4.0730 -3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6810 -5.2540 -4.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -1.2430 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -1.0840 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -1.2740 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 1.8990 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 2.7170 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -1.8320 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -2.5730 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.0410 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -4.6680 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.3460 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -4.8330 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.7410 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -3.8720 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5470 -2.8150 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 -5.3860 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -5.8550 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 -0.5260 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 0.1060 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 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 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END