PUBCHEM-ZINC05178975 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5880 -0.3550 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.5330 -0.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0150 -0.1820 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -2.0630 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0430 -2.4260 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.5910 -0.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1900 -2.2270 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -4.1200 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -4.6250 -0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -5.2680 -1.6290 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4080 -5.9110 -2.5400 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.6870 -2.1320 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.5220 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.0580 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.4790 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 2.6880 -0.8430 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0570 3.3440 -1.6860 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -4.4700 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -4.4860 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -2.4180 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -2.2350 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -0.3320 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.2050 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 12 13 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 19 20 2 0 0 0 0 M CHG 1 12 1 M CHG 1 13 -1 M CHG 1 19 1 M CHG 1 20 -1 M END