IFLAB-ZINC01475654 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -4.1730 -2.4960 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -4.6400 -3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -3.6640 -4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -4.0330 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -5.3720 -6.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -6.3450 -5.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -5.9830 -4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -7.0260 -3.3500 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1490 -8.2030 -3.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -6.7060 -2.3280 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4520 -5.8380 -7.7720 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -7.1290 -8.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -4.7430 -8.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -5.9420 -7.2890 C 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -2.0270 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -2.0110 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -2.6190 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -3.2760 -6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -7.3890 -5.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 -6.6880 -6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 -6.2280 -8.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -4.9720 -6.9210 H 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END