PUBCHEM-ZINC04557313 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 0.3860 1.5020 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.0250 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -0.4720 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -1.9980 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -2.4450 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -3.9720 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -4.4190 -3.7540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7650 -3.9200 -4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -5.9340 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -3.9810 -3.7260 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -2.5700 -3.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -4.7840 -2.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -4.5160 -5.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -5.5670 -5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -5.9870 -6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -5.3560 -7.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -4.3060 -7.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.8890 -6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -2.7680 -6.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9630 -2.1330 -7.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -2.4820 -5.3110 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0930 -5.8050 -9.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8830 -6.7300 -9.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.2500 -10.0770 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4220 1.8430 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 1.9310 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 1.8200 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.4530 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -0.3660 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -0.0430 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -0.1310 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -2.4270 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.3390 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -2.0170 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -2.1040 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -4.4000 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -4.3130 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -6.4340 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -6.2060 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -6.2410 -4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -6.0600 -4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 -6.8070 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -3.8140 -8.5790 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 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 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 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 43 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 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END