SIAL-ZINC04533971 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 66 0 0 1 0 0 0 0 0999 V2000 -0.3770 -1.3890 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -1.9240 -3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.9300 -3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -2.4010 -2.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.9710 -1.5410 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4630 -2.3420 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -4.4210 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -5.3430 -2.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -5.5970 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -2.9250 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -2.6060 -1.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -3.3680 0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -3.8570 0.9910 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6800 -3.3240 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -3.6640 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -4.2760 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -5.1460 3.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -5.3510 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -5.9260 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -5.9930 1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 -7.4430 1.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7070 -7.8040 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -8.1380 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -8.0770 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -8.6690 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -8.1810 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 -7.7230 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -6.9730 1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1070 -8.8800 0.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -9.8780 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -11.1430 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 -10.6330 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 -9.2460 0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.9980 -9.2810 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3570 -8.3540 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7040 -7.6600 -1.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -1.0110 -5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -2.1850 -5.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -0.5720 -4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -2.3770 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.4990 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -4.7570 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -3.4360 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -2.5950 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -4.1020 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -5.4720 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -7.6650 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -9.1880 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -8.6180 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -7.0440 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -8.4350 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -9.7610 3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -8.8780 4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -8.0350 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -9.5610 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -9.9930 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -11.8890 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -11.5940 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6340 -10.5820 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2430 -11.3030 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -3.8910 2.4500 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4070 -6.8950 4.8540 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5070 -6.4090 4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -6.9420 5.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -6.1350 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6120 -8.4670 -0.7950 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 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 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 61 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 66 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 M CHG 1 61 -1 M CHG 1 62 1 M CHG 1 66 -1 M END