PUBCHEM-ZINC05513118 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.3940 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 4.2190 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 5.6200 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 6.3280 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 7.7170 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 8.4140 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 7.7300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 6.3470 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 5.6440 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 8.4810 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1360 9.6990 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 7.8800 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1630 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1700 -2.7810 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -2.7640 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 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 3.3400 -0.5210 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 1.9380 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 4.0930 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 6.0980 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 8.2520 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 9.4940 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 5.8170 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 4.5640 -0.0080 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 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 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 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END