PUBCHEM-ZINC00187603 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 0.0180 1.5070 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.0090 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6310 -0.2940 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -0.5840 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -1.2680 -2.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.5650 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -0.4330 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 0.1270 2.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -1.0500 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -1.4800 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -2.0710 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -2.2300 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -1.7850 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -1.1930 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 -2.8250 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9500 -3.0020 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.9230 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8090 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.9760 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -1.0990 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.3650 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -2.4100 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -1.8790 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -0.8350 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4190 -3.6600 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8970 -3.4840 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 -2.0380 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.3170 -1.4130 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 28 -1 M END