PUBCHEM-ZINC04544066 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 -1.7350 -1.0620 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -1.1660 0.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1340 -2.1350 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0520 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 0.9450 0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.2690 -1.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.6420 -2.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4360 0.9180 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.8890 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -0.0410 -3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.1620 -4.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.0530 1.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.1390 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -3.2970 2.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -1.8010 4.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6060 -2.7630 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.9420 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -0.7150 5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 0.1240 5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 0.4830 7.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 1.3300 6.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 0.8630 7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 -0.2800 7.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 1.9250 7.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -1.2740 4.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.0150 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 0.7890 3.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 0.2790 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.0930 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -1.1660 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -1.8420 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -1.1130 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 1.6320 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 2.4330 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 2.5770 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.1110 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.4360 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 0.0340 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -0.2000 6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -1.6780 6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -0.4210 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 1.0470 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 1.0510 7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -0.4210 7.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 2.3050 6.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 2.5490 8.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 1.4520 7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 2.5500 6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.8860 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.1240 6.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.3610 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -0.1720 5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 0.5850 -4.6950 O 0 5 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 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 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 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 53 -1 M END