PUBCHEM-ZINC00113062 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 0 0 0 0 0999 V2000 0.3540 1.0120 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.0890 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -1.1300 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.7840 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 0.6840 -1.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 0.8130 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 1.9070 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 2.1290 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 1.2550 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 0.1740 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -0.0290 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -1.3860 -3.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -2.3630 -3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -1.8630 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -0.7140 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -0.1270 -5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -1.8800 -5.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 0.3630 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -0.6870 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -0.4310 -3.9050 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3250 1.4960 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 1.7850 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.5920 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -1.5970 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -1.9370 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -0.6860 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.0780 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -1.5780 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -1.2510 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 2.6040 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 2.9670 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 1.4080 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -0.8830 -5.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 0.2480 -6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 0.7140 -4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -2.3250 -5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.5430 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -2.6760 -5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 1.2460 -4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 0.7020 -5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.0140 -4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -1.5080 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 2 0 0 0 0 M CHG 1 20 -1 M END