PUBCHEM-ZINC05557817 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.5880 0.6340 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.8290 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -1.5020 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -2.8440 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -3.5170 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.8510 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.5010 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.8220 -2.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -1.2020 -4.1970 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -0.2500 -5.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -2.6050 -4.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -0.9100 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 0.3330 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 0.5630 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -0.4500 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -1.6930 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -1.9240 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -2.7780 -1.9210 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7590 -3.5520 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -2.8960 -2.1260 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5520 -0.2000 -2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 0.7390 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.1110 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 1.1090 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -0.9790 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -3.3670 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -4.5660 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -3.3770 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.1290 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 1.1250 -4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 1.5340 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.8960 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 -0.5380 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -0.7470 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 0.8670 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END