PUBCHEM-ZINC04096078 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 -1.6640 -0.9310 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -1.0500 -0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2050 -1.9980 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.1030 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.0910 -0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.0680 1.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 0.8770 2.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2930 1.8750 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 0.8720 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 0.5060 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.5880 4.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -1.0200 -1.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.1510 -2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -3.2930 -1.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -1.8900 -3.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5520 -2.8730 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -1.0240 -4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.8540 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 0.0000 -5.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 0.3080 -7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 1.1740 -7.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 0.7160 -7.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -0.4370 -7.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 1.7980 -7.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.4110 -4.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.1480 -4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 0.7020 -3.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 0.0900 -5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 0.0170 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -1.7420 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.9700 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.8790 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -0.1190 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 1.1370 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 1.5880 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.1020 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -0.0310 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -1.4860 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -1.8350 -5.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.3740 -6.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.9430 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -0.5150 -5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -0.6150 -7.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.8420 -7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 2.1560 -6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 2.3830 -8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 2.4580 -6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 1.3460 -7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.0620 -5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -0.3720 -6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -0.3340 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 1.1660 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 1.3240 4.8550 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