PUBCHEM-ZINC05477170 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.7730 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -1.3680 -0.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -1.2740 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -0.8130 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.6290 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 0.4360 3.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.6400 3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.3850 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -1.6210 1.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -2.0690 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 -2.1700 0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 -2.4460 2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8260 -2.9130 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 -4.2500 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1700 -4.6780 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1710 -3.7690 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0000 -2.4320 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8290 -2.0050 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4270 -4.2280 0.2160 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.5770 -5.4060 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3090 -3.4270 -0.0370 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.5700 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -2.2780 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.5570 4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.1310 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -1.5400 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -3.2480 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -1.5780 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -4.9600 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 -5.7220 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7820 -1.7220 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6970 -0.9610 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.4850 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -0.3230 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 0.2460 -2.4950 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END