PUBCHEM-ZINC01475690 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.6860 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -2.2790 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.2710 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.8580 -1.4980 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -3.6580 -2.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -4.8300 -0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -4.4170 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 -4.5370 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -4.9750 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -5.2940 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5060 -5.1730 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -4.7400 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -4.6150 1.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9370 -4.8990 2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -4.2290 0.9770 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.9020 -5.8520 -1.3410 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3840 -5.8360 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5490 -6.6950 -3.8110 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.7100 -6.2630 -3.2110 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.2640 -4.5360 -3.5940 F 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.4270 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -1.5840 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -4.2880 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 -5.0680 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 -5.4200 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END