PUBCHEM-ZINC06553794 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0790 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0660 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0790 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2530 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.0730 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -6.3870 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -6.2920 -0.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -4.7490 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -5.0600 -1.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -7.6370 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -7.5900 2.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -8.8290 0.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -10.0140 1.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -11.1620 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -12.4100 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -13.6470 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -14.8100 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -14.7530 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -13.5310 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -12.3600 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -16.0050 3.9050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2740 -17.0830 3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -15.9580 5.1220 O 0 5 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 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6200 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5980 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2770 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5110 -3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0230 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.7790 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -8.8660 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -11.2040 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -13.6930 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -15.7680 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -13.4940 4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -11.4060 3.5440 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END