PUBCHEM-ZINC05158630 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 82 0 0 0 0 0 0 0 0999 V2000 3.0360 2.1520 6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 2.1410 5.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 3.0360 5.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 4.1850 6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 5.5160 5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 6.6980 6.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 7.5770 6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 7.5910 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 6.9270 4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 6.1850 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 6.0010 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 5.2950 3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 6.0320 5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 6.2210 6.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 6.9130 5.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8930 5.2620 5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1040 5.4050 6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9250 6.2510 7.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3470 5.9590 8.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1840 6.9550 9.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0890 4.6550 9.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9410 4.7640 10.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7260 3.4650 11.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1160 3.1520 12.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9030 4.0540 13.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7860 1.8080 12.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 6.8720 8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.0200 4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 1.2760 7.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 2.1220 6.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 3.0430 7.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 2.9320 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 4.2160 6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 4.0230 7.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 5.4860 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 5.6440 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 8.4020 7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 8.6240 4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 7.0590 4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 6.4160 3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 7.9660 4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 5.1890 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 6.9780 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 5.4180 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 5.2210 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 4.2680 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 7.0260 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 6.8200 7.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5230 5.2460 6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 6.9670 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 7.9470 5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4590 5.0940 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6930 4.3000 5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8980 4.4080 6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6110 5.3060 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2230 7.2120 6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1550 6.5170 9.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6790 7.2470 10.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3740 7.8680 8.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0110 4.3520 9.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8840 3.8440 8.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0110 5.0170 9.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1130 5.5870 11.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1750 2.7160 10.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7920 3.5320 13.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2930 4.3460 14.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2550 4.9660 12.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1970 1.9340 13.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7050 1.2670 13.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2060 1.1800 12.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 6.9690 7.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 7.7670 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 6.0120 8.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 1.0930 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 0.0520 5.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 1.0360 3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 6.9580 5.6220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1680 6.0020 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 7.4600 6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7780 6.0450 6.2340 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.9430 6.9810 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3260 6.1870 7.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 77 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 77 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 16 80 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 17 80 1 0 0 0 0 18 19 2 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 2 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 M CHG 1 77 1 M CHG 1 80 1 M END