SIAL-ZINC04533964 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 33 0 0 1 0 0 0 0 0999 V2000 -0.5470 0.0730 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -0.1110 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.2880 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.3050 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.3460 -1.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8210 -1.0610 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -0.8280 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 0.1010 -4.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 0.9810 -1.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 1.4790 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 0.8560 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 2.8970 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 3.6800 0.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2540 3.9240 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 4.9470 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 4.8250 0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 0.9380 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.8100 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 0.2430 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.8040 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -2.2320 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.3890 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -1.1510 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -1.2290 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 0.5080 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 1.5000 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 2.8300 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 3.4180 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -2.0620 -3.2790 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5430 5.8790 -0.6460 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9580 2.8540 1.3170 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9410 3.2100 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 1.8310 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 3.0660 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 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 29 1 0 0 0 0 9 10 1 0 0 0 0 9 26 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 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 30 -1 M CHG 1 31 1 M END