PUBCHEM-ZINC06090958 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3460 0.0090 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 1.2480 -0.6760 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -1.8930 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.0440 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -0.4090 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 1.3890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 2.0260 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0400 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 3.5050 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1180 3.8620 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 4.0300 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 4.9140 0.8440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8870 4.3610 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 5.2350 -0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8320 6.0560 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 4.0100 -1.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 5.5690 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 5.9730 -2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 6.1090 1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.7710 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3310 -0.1850 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -1.9890 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9570 1.8760 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 4.6260 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 3.2030 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 6.3800 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 4.6890 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 6.2010 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 5.9540 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END