PUBCHEM-ZINC02016422 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 1.3510 2.9500 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 2.6530 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 3.1600 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 3.9220 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.3970 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 3.4250 4.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6060 2.7840 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 4.8770 4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 5.3560 5.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 5.5230 5.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 6.0270 6.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 6.3640 7.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 6.1920 7.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 5.6880 6.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 5.4600 6.9240 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 3.6730 6.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 2.8920 5.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.4800 5.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 0.8780 7.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 1.6600 8.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 3.0480 7.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -0.5840 7.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.2350 6.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.0760 8.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8070 3.0280 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 1.9080 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 3.5660 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.5890 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 2.7360 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 4.1950 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 2.5190 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 3.8040 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 4.9720 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 4.0260 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 2.3760 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 5.5980 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 4.9570 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 5.2800 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 6.1640 6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 6.7600 8.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 6.4550 8.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 0.8450 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 1.2180 8.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 3.6490 8.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 3.4330 0.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 3.1190 3.2980 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5560 2.1420 3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 46 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 46 1 M END