PUBCHEM-ZINC05926831 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.8720 1.2380 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.2570 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -1.1760 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -2.4310 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -2.1930 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.9280 -0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.5150 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -3.7550 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -3.8380 3.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -4.8720 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -6.1280 1.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -7.2080 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -8.4790 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -9.6010 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -9.5110 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -8.6050 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -8.5270 -2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -9.3430 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -10.2420 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -10.3360 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -11.3020 -0.3250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2830 -12.0870 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -11.3130 0.8910 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8760 1.5420 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.7280 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 1.5270 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -0.9920 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.8060 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -7.1340 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -8.5490 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -10.5650 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -7.9670 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -7.8270 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -9.2770 -4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -10.8750 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 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