SIAL-ZINC04556819 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.7550 1.2060 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.3020 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.9290 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -2.4370 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -3.0660 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -2.9920 -1.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -4.3390 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -5.1970 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -3.9820 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -6.4690 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -6.9420 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -5.9870 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -6.2570 -4.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -4.6810 -3.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -8.3000 -2.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -8.6450 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -7.5620 -0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -7.5730 0.4640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8400 -7.4570 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -6.5220 0.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3730 -6.2380 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -7.3020 1.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7570 -7.3160 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -8.6530 0.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2450 -8.6090 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -8.8870 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -9.6780 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -9.2700 1.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -7.8160 1.9610 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -7.8440 3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -6.8770 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -5.3480 1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -4.6570 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 1.6720 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 1.4680 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 1.6330 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.5330 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -0.7350 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.7090 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.5060 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -2.3630 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -9.6540 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -10.6630 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -9.7880 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -7.4400 1.5060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 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 41 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 45 -1 M END