PUBCHEM-ZINC04565622 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.3100 1.9570 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.5730 -0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.2350 -1.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3570 0.1730 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -1.6660 -1.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0400 -2.2730 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -2.2530 -0.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2950 -1.6760 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -2.1890 -2.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6990 -2.5540 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -0.7370 -2.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2610 -0.1280 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -0.2420 -2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.6720 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 0.7260 -4.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.0750 -5.3060 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9920 1.4240 -6.3020 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.1190 -2.9990 -3.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -4.3100 -3.4050 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -5.0560 -4.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -4.7660 -2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -3.8310 -4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -3.6470 -0.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -3.8900 0.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4080 -4.1320 1.4510 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3710 -1.6540 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -1.6670 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -1.6880 -1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -1.6550 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -1.6680 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -1.6570 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -1.6330 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -1.6200 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -1.6250 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 2.3580 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 2.0680 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 2.5020 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -1.2170 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -1.1220 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -3.2620 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -4.7260 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -3.2180 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.6380 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -1.6880 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 -1.6670 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 -1.6250 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -1.6010 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -1.6110 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 44 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 33 2 0 0 0 0 32 46 1 0 0 0 0 33 34 1 0 0 0 0 33 47 1 0 0 0 0 34 48 1 0 0 0 0 M CHG 1 16 1 M CHG 1 17 -1 M CHG 1 24 1 M CHG 1 25 -1 M END