PUBCHEM-ZINC01293062 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -3.3870 1.3570 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -0.0920 -0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -0.7620 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -0.8160 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -0.2090 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.9450 -3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.3330 -3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -2.9480 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -2.2080 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -3.0160 -4.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -4.3830 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -4.8350 -6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.0960 -7.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -4.7940 -8.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -6.1720 -8.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -6.8740 -7.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -6.2440 -6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -7.0800 -5.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -6.5360 -4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -5.2400 -3.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.5840 -7.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -2.0850 -8.7470 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3410 1.6370 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 1.8420 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 1.7720 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -0.0580 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -1.2610 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -1.4970 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 0.8630 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.4130 -4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -4.0200 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -2.7710 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.3860 -5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -4.2440 -9.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -6.6940 -9.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -7.9590 -7.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -7.2100 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.9180 -6.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 2 0 0 0 0 M CHG 1 22 -1 M END