PUBCHEM-ZINC02171323 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 1.3920 0.4570 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 1.2170 -4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 0.5510 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 1.2480 -6.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 2.6120 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 3.2780 -5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 2.5800 -4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 3.3050 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 3.3590 -7.8610 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4600 2.7720 -8.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 4.5610 -7.8600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8310 2.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0680 -2.2270 3.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -4.0480 2.4590 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 -0.1670 2.1340 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 -0.4720 -0.5550 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 0.9740 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 1.0840 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -0.4450 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.5140 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 0.7280 -7.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 4.3440 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 3.6520 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 4.1600 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 2.6280 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END