PUBCHEM-ZINC02885383 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 57 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0720 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.4000 -3.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.3070 -4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 1.6630 -5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 2.3950 -6.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.8140 -7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 2.5850 -6.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 3.5680 -8.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 3.9090 -9.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 2.9820 -9.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 2.8970 -11.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 1.9820 -11.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 1.1490 -11.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 1.2290 -10.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 2.1470 -9.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 2.2300 -7.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 1.3420 -7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 1.8910 -13.4110 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6900 2.6240 -13.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 1.0850 -14.1080 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4430 5.3910 -8.7180 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 5.6650 -9.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 6.2130 -8.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 5.1170 -7.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5200 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0160 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 0.6840 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 2.2200 -4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 2.2860 -4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 0.7500 -5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 2.5790 -6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 2.9450 -9.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 4.4810 -8.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 3.5460 -11.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 0.4350 -12.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 0.5770 -9.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 1.5120 -6.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 0.3110 -7.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 1.5260 -7.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 4.4850 -7.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 6.0740 -6.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 4.6260 -6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END