PUBCHEM-ZINC03870101 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 1 0 0 0 0 0999 V2000 -0.3710 1.4990 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.0030 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.8350 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9230 -0.5300 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.2980 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -3.0040 0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -0.7170 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 0.2340 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 1.1090 0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 0.0800 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 1.1000 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 0.9740 3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 0.0960 4.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 2.2660 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 3.6360 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 3.9500 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 1.6680 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.9120 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.3420 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.1490 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -1.4410 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 -0.9370 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 0.1820 3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 2.1140 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 1.0160 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 2.2130 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 1.8610 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -2.6030 -1.2670 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2570 1.7850 3.7470 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END