PUBCHEM-ZINC03814944 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -2.7450 0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -4.0410 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -1.8270 0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -2.9780 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -4.1450 -2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -4.3440 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 -3.3430 -4.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 -2.1830 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4020 -2.0500 -2.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 -1.1580 -4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -1.3820 -5.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -2.4970 -6.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -3.4500 -5.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 -2.6650 -7.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9460 0.0000 -3.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -4.8940 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -5.2420 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -1.9790 -7.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -3.4690 -7.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 0.1470 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4680 0.6680 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END