PUBCHEM-ZINC00168401 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 0.7270 1.2590 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.2370 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.8780 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -2.2480 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.9830 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -2.3360 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.9650 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -3.1290 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.3700 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -5.0540 -0.5300 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -4.4600 -1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -6.4570 -0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.5350 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -3.7650 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -3.3580 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -3.7210 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -4.4920 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -4.9030 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -5.7330 2.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6680 -6.1650 3.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -5.9830 1.7160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0280 -2.9460 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.5000 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 1.6470 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 1.7120 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.3060 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.4600 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -3.1140 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -2.6880 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -4.1590 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -4.9310 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -3.4810 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -2.7560 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -3.4020 2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -4.7760 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -2.9940 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -3.9560 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -2.3920 3.3080 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END