PUBCHEM-ZINC00455972 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.9680 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -2.5450 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -4.0750 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -4.5250 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9630 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -5.6430 0.9740 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -5.4580 2.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 -5.5690 0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -7.2340 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -7.8060 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -9.0540 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -9.7310 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -9.1600 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -7.9140 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -11.0670 -1.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1760 -11.5700 -0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -11.6640 -1.8830 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -0.8790 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -2.3130 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -2.2210 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -2.1940 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -4.4920 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -4.4040 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -4.2840 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -4.3060 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -7.2760 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -9.5000 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -9.6890 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -7.4700 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 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 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 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 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END