PUBCHEM-ZINC04760044 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 73 0 0 0 0 0 0 0 0999 V2000 0.3530 0.5290 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -0.5720 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -0.8150 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 0.0550 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 1.1770 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 1.3970 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.0890 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 2.9940 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 3.1090 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 3.8100 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 3.9280 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1770 4.6270 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 4.7460 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 5.4440 -5.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 5.5630 -7.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7870 6.2600 -7.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2330 6.3800 -8.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5900 7.0760 -9.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0270 7.1950 -10.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9290 8.0500 -11.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3600 8.5130 -11.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8400 9.3970 -12.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1780 9.7970 -12.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0530 9.3130 -11.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5980 8.4230 -10.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2610 8.0280 -10.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7860 7.1570 -10.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -0.1590 -1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 0.7100 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -1.2440 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.6780 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 2.2430 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 3.0810 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 1.6470 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 2.3970 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 3.9790 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 2.1100 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 3.6690 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 4.8090 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 3.2490 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 2.9280 -4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 4.4890 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 5.6270 -3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 4.0660 -3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 3.7460 -6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8760 5.3070 -6.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 6.4440 -5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7320 4.8820 -5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4930 4.5630 -7.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6800 6.1250 -7.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7240 7.2590 -7.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5370 5.6970 -6.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2960 5.3800 -9.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4830 6.9430 -9.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5290 8.0740 -8.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3410 6.5120 -8.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1450 6.2100 -11.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3250 7.8000 -11.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 8.7720 -12.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8740 7.0820 -12.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1810 9.7810 -13.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5410 10.4860 -13.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0940 9.6280 -11.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2950 8.0560 -10.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5510 6.8390 -9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -1.0240 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 2.3050 -1.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3210 1.3530 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 2.7980 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3470 7.8750 -10.5950 N 0 3 0 0 0 0 0 0 0 0 0 0 16.3110 8.7910 -10.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0660 7.3380 -10.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 67 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 67 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 70 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 20 70 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 24 25 2 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 M CHG 1 67 1 M CHG 1 70 1 M END