PUBCHEM-ZINC04760713 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -2.6080 -0.6630 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.5280 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.7140 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -0.4240 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.1390 2.2230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2160 -0.8370 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -0.3450 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 0.7450 1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 1.2390 2.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 1.6490 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 0.8930 4.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 3.1590 3.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4590 3.7090 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 3.4620 5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 4.9560 5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 5.2580 6.6080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 7.0510 6.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 3.4960 4.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 4.7010 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 5.6780 3.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 4.6550 4.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 5.8750 4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 5.6670 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 5.7230 6.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 5.5060 6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 5.2250 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 5.1600 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 5.3770 3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -1.5700 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.7070 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 0.1960 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 0.3920 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -2.6570 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -1.6090 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -1.7930 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -1.3570 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.3700 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 1.8790 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.9200 5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 3.0690 4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 5.5090 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 5.3420 5.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 7.4260 7.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 7.5410 5.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 7.2950 7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 2.7720 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 6.6910 4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 6.1400 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 5.9290 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 5.5510 7.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6600 5.0530 6.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2730 4.9360 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 5.3130 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -1.5410 1.6310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 1 54 -1 M END