PUBCHEM-ZINC06160592 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 1.3560 -0.3190 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.3240 0.3270 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.7820 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -1.9370 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.2940 3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -1.4840 4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -0.3360 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 0.0170 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -1.8890 5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -3.1290 5.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -3.1220 6.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -1.9200 7.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -0.9100 6.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7330 -0.4760 5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.1270 7.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3260 -1.1220 7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 0.9220 7.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.8180 5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.1780 5.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.0270 4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.5700 4.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.1120 3.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.4590 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.6350 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 2.5120 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.0080 8.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.1000 9.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -1.2830 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -0.1460 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.4770 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.5660 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -3.1930 4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 0.2880 3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.9250 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -3.9420 7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -2.1410 8.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -1.6210 7.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 0.8120 8.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.9400 7.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.1900 6.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 0.6830 5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -1.0490 9.5990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 15 40 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 42 -1 M END