PUBCHEM-ZINC00505404 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0180 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 1.3990 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.5700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 4.3580 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 5.6200 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 5.6600 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 6.4540 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 4.3250 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 6.7920 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 6.6270 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 7.7470 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 8.9580 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 9.1580 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 8.0940 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.1620 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1730 -2.7810 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -2.7610 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.5160 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 1.9440 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 5.6390 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 7.6300 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 10.1670 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 8.2650 0.0230 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END