PUBCHEM-ZINC05157444 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -1.1740 0.9220 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.2600 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.0280 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -1.6040 -0.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3460 -2.2240 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -2.0190 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -1.8240 1.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1260 -0.7910 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -2.1520 2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -3.3650 3.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -2.7260 0.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -2.4030 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -1.3200 -1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -3.5620 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -3.1450 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5010 -4.3390 -3.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0030 -5.0070 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -3.9700 -4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -4.5870 -5.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.7740 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.0610 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -1.2710 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -0.8510 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -3.0770 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -1.4680 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -3.6300 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -4.3250 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 -3.9920 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -2.4540 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -2.5770 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -1.1830 3.7210 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.4580 -3.2050 -3.9320 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.4220 -5.1720 -3.7440 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2900 -6.1010 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -4.6770 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -5.2700 -4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M CHG 1 33 1 M END