PUBCHEM-ZINC04741012 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 0 0 0 0 0 0999 V2000 -0.1980 1.5240 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.0180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.2380 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.6590 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.5560 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.0920 -1.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -0.2690 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -1.1510 -3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -1.5070 -4.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -0.9810 -4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 -0.1040 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 0.2580 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 1.2020 -1.3420 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3790 2.1390 -1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 1.0420 -0.1890 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9670 -2.3940 -5.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -2.6320 -6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -3.7410 -7.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -3.3760 -7.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.9910 -6.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.9110 -6.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -3.3970 -9.5210 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.4560 -9.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -3.1900 -10.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -5.0800 -9.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 2.0060 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 1.7060 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 1.9330 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 0.1700 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -1.3120 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 0.2440 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.4760 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.7320 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -0.2500 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -1.6290 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.3730 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 0.7720 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -1.5580 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -1.2580 -5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 0.3030 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -1.7160 -6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -2.9360 -5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -3.8420 -8.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -4.6820 -6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -2.5970 -7.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -3.8600 -6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -1.6930 -5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -1.0060 -6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -5.2690 -9.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -5.1840 -10.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -5.7970 -9.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END