PUBCHEM-ZINC06779380 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.4920 2.0650 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 0.6610 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.2780 -0.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.8370 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -0.1700 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -0.5660 -1.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -1.4090 -1.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -1.6580 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 -1.5540 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -1.8470 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -2.2460 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -2.3740 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -2.0820 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -2.6610 -5.9020 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -3.2550 -6.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 -3.3830 -5.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -1.1550 -6.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.1460 -6.9300 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0690 -0.5750 -6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 0.4670 -8.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -0.4290 -9.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -1.4530 -9.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -2.2950 -10.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -2.1210 -11.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -1.1070 -11.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -0.2670 -10.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 0.9850 -5.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 0.8320 -5.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 2.7520 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 2.4330 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 2.0930 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.6840 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 0.2790 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.9150 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -0.7270 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 0.9020 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -0.2860 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -0.6150 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 -1.2370 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 -1.7480 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -2.6990 -5.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -2.1900 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 0.6840 -8.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 1.4370 -8.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 -1.6090 -9.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -3.0920 -11.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -2.7790 -12.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -0.9750 -11.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 0.5140 -9.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 1.8690 -5.9440 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6100 -0.6380 -5.6770 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 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 50 -1 M END