PUBCHEM-ZINC05650659 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 42 0 0 1 0 0 0 0 0999 V2000 -1.6680 1.0380 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.4630 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.7830 2.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -2.0680 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -2.9000 2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -2.4750 2.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0690 -2.2240 3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -1.7330 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -2.1050 1.7760 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -4.6620 3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -6.1510 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -6.8890 4.5200 N 0 5 0 0 0 0 0 0 0 0 0 0 1.7690 -8.3340 4.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7400 -8.5230 3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -9.0460 5.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -8.4940 6.7270 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -8.8540 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -8.0980 2.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -10.1560 3.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -10.5860 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -12.0910 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.5920 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 1.2780 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 1.3140 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -1.0170 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -0.7400 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -2.0550 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -0.6600 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -4.5210 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -4.2890 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -6.5240 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -6.2910 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -8.8080 6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -10.1230 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -10.3710 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -10.0520 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -12.4130 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -12.3060 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -12.6240 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -3.9240 2.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -4.2360 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -9.1900 7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -1.3980 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 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 40 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 12 -1 M END