PUBCHEM-ZINC03040253 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.1170 1.2020 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.1650 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -0.6710 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 0.1830 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.5530 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 2.0590 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.4440 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 0.3700 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -0.5690 -0.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9780 -1.3930 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 0.1840 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.7860 0.1840 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0670 -1.2720 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 -2.1530 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 -2.5430 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 -2.0420 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -1.1640 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8390 -3.4300 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1050 -2.5870 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5600 -3.5590 0.6810 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3610 -4.1110 2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 -4.5280 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -1.1550 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -1.4970 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.6000 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.8360 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -1.7390 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 2.2560 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 3.1270 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 1.1110 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 0.8610 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 0.8470 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 0.7840 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 -0.9420 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5930 -2.5210 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 -2.3210 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 -0.7500 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7840 -4.0150 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8300 -4.1630 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 -2.0840 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0960 -1.8150 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6240 -2.5630 0.5760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 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 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 12 1 M CHG 1 42 -1 M END