PUBCHEM-ZINC03872442 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 71 0 0 1 0 0 0 0 0999 V2000 -4.8910 -2.0110 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -1.5820 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -2.6410 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -1.3440 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -0.8330 1.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9730 -1.4480 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.9240 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.2120 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 0.5690 2.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 1.0540 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 0.3760 4.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 2.4280 3.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 3.2440 4.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8020 2.8390 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 3.2520 5.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2200 3.6760 6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 4.0720 5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 3.9770 7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 1.6920 7.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 1.9130 6.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 0.3820 7.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 4.6630 3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 5.0380 2.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 5.4810 3.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 6.8860 3.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9420 7.2930 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 7.0770 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 6.4290 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 6.7930 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 7.6980 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 6.0240 -1.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 6.2090 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 5.2760 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 7.5940 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 6.9610 5.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 8.9740 4.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 9.7520 5.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2970 9.2750 6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 11.1930 5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 9.6920 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8540 10.3480 7.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -2.9530 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -2.1480 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -1.2490 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -0.6450 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -3.5900 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -2.3240 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -2.8300 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -2.2870 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -0.6280 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 1.1990 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 2.9160 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 3.6850 5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 5.1240 5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 4.4920 7.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 4.4900 7.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 1.1270 5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -0.3340 6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 0.1120 8.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 5.1370 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 6.6670 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 8.1500 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 6.7490 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 5.3380 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 9.4640 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 11.6910 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 11.7690 6.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 11.2380 5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 8.9760 5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -2.0790 0.3050 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8000 2.5930 7.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 49 1 0 0 0 0 4 50 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 70 1 0 0 0 0 9 10 1 0 0 0 0 9 51 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 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 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 55 1 0 0 0 0 18 56 1 0 0 0 0 18 71 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 71 2 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 34 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 40 69 1 0 0 0 0 M CHG 1 70 -1 M END