PUBCHEM-ZINC05863072 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.3800 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6780 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0320 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4140 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0880 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.5940 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 4.0630 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 5.4070 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 6.2610 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 7.6280 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 8.1590 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 7.3250 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 5.9390 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 5.0420 4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 4.4380 4.6040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 4.6970 4.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 3.9000 5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 3.7380 6.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 3.9720 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 5.0620 4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 10.0340 2.1640 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.0290 -0.0230 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5540 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.4940 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9680 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 3.9730 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 3.9480 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 5.8550 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 8.2880 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 7.7430 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 2.9200 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 4.4170 6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.7330 6.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 4.4880 6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 3.0630 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 4.3450 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 6.0470 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 5.0440 3.0610 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END