PUBCHEM-ZINC04517691 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 0.2690 1.0670 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -0.1300 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.3470 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -0.8350 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -2.4250 0.4570 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -2.8980 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -4.2620 0.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8160 -4.3240 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -4.5590 0.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3050 -3.6690 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -5.2540 -0.6480 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8740 -4.4460 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -5.9720 -0.8330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1630 -5.8330 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -5.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -7.3910 -0.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -7.9800 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -9.2900 0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -9.5600 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -8.3930 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -8.2870 -2.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -9.4990 -3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -10.7120 -2.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -10.7640 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -11.9920 -0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -6.0780 -0.5590 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0510 -5.4780 1.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -6.0460 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 1.5670 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.7450 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 1.8030 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -0.8220 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.0190 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.4910 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 0.8900 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -0.1900 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -1.0420 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -2.1230 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -2.9180 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -7.4030 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -9.5020 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -12.0390 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -12.8140 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 26 -1 M END