PUBCHEM-ZINC02830857 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 0 0 0 0 0 0999 V2000 0.1420 1.6640 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.1350 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.3780 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.9080 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -2.3990 2.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -2.5190 3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -3.8640 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -3.9880 4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -5.3330 4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -2.8200 2.2490 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -3.7320 3.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -3.1310 0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -1.3750 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -1.0980 3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 0.0330 4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 0.8930 3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 0.6110 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.5250 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 2.0380 3.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 2.4170 2.7800 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 2.3960 1.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 3.5540 3.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 1.0960 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6850 0.0760 2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -0.9600 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4020 -0.9760 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 0.0440 4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 1.0830 4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3610 -2.0870 3.5750 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4270 -2.9860 2.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 -2.1010 4.5550 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1750 2.0110 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 2.0300 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 2.0420 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.2120 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.2430 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -0.0320 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0010 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -2.2550 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -2.2860 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -2.4580 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -1.7100 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -3.9240 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -4.6730 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -3.9280 5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -3.1790 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -5.4220 5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -5.3940 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -6.1420 4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -1.7670 4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 0.2490 5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 1.2780 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.7460 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 2.6110 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 0.0880 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 -1.7580 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9670 0.0320 5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 1.8820 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 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 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END