PUBCHEM-ZINC04959431 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -1.8460 -0.7700 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.0160 -0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7610 1.0500 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.3510 1.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1980 -0.1380 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.8220 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.6870 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -4.0040 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -4.1110 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.6330 0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 0.1740 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 1.2320 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 2.4890 2.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 2.9820 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 2.0220 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.2200 -1.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 0.3500 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.0470 -1.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 0.0790 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.0680 -3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 0.8530 -5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.3550 -5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -1.3360 -5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -1.1360 -3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.5060 -5.7660 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -0.5990 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -0.4280 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -1.8480 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.3950 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -4.8320 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -4.9900 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -0.7540 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 0.0100 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 0.9170 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3610 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 3.9530 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 3.1490 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 1.8840 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 2.3910 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -0.7920 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 2.0140 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 1.6250 -5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.5390 -6.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.9480 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 0.6450 1.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9170 0.7910 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 45 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END