PUBCHEM-ZINC02926885 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.3080 1.3090 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.1230 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.8560 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.5070 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -1.5230 3.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -2.7840 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -3.2050 1.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -2.1980 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.5520 -0.7590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.9210 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.5030 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 0.6740 -2.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -1.5160 -3.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.2290 -4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.5980 -5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 0.8100 -7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 1.3490 -8.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 0.2790 -9.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.5140 -9.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.1540 -8.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 0.8170 3.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 1.0840 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.8600 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 3.2150 2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 4.2320 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 3.9170 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 2.5860 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.5730 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 1.9680 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.4560 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 1.6190 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -3.5450 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -2.4790 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -0.5590 -5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.1770 -5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.3220 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.2560 -4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 1.6250 -6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 0.1740 -7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 1.9270 -9.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 2.0130 -8.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -1.2960 -10.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.1080 -9.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.8100 -8.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.7060 -7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 1.6130 4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 1.6930 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.1760 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 3.5090 3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 5.2700 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 4.7070 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 2.3330 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 0.5440 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -0.0660 -6.9780 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4880 0.5440 -6.9300 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 10 2 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 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END