PUBCHEM-ZINC01178522 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.9830 -2.4280 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -1.7110 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -2.4180 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -1.7600 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -0.3950 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.3120 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.3460 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.4260 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 1.0260 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 1.0520 -3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 1.9100 -3.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 1.6610 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 1.6110 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 3.1250 -3.7440 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 3.3600 -2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 2.7830 -5.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 4.5830 -3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 4.5460 -3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 5.6890 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 6.8710 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 6.9090 -4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 5.7660 -4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 5.8080 -4.8430 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0680 6.8580 -5.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 4.7920 -4.9290 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.7980 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -1.7390 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -3.2670 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -3.4840 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -2.3120 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 0.1190 3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 1.3780 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.1350 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.3930 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.0170 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.3090 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 0.0410 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 1.4540 -4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 0.7090 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 2.4660 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 1.3180 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 2.5940 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 3.6220 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 5.6600 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 7.7650 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 7.8330 -4.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 0.6300 -1.7240 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END