PUBCHEM-ZINC00618596 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3810 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 1.2030 -0.6740 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4300 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 3.5730 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0740 4.1610 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 4.2020 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5160 -0.9380 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -0.6460 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -2.1940 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.1380 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -3.4160 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -3.8500 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -5.1080 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -5.6060 0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9890 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.6270 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -2.6170 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -4.2070 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -3.2260 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -3.0600 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -4.0400 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -5.6740 2.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 -6.4800 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END