SIAL-ZINC04556605 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 0.0090 1.2110 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.1240 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.7460 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -1.9590 0.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.1330 -0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.2700 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.5050 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 2.1920 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 2.0260 0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 3.4780 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2990 3.8010 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 4.1720 1.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1430 3.4740 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 5.2260 1.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3460 6.1970 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 5.3000 0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0790 5.8890 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 3.9290 0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 5.8120 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 6.0030 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 6.6330 0.3960 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 7.9940 1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 4.7580 3.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 4.0300 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 4.7490 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 4.0040 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -1.3130 0.8630 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 1.7140 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 5.0870 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 6.7650 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 6.6850 -0.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5530 5.6400 1.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END