PUBCHEM-ZINC02762911 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.6590 1.4690 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -0.0570 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.4700 -0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -1.7950 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -2.5840 -0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -2.2840 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -1.4160 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -2.0770 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -3.8080 -1.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -3.6130 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -4.6540 -0.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -5.9290 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -6.1660 -0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -7.0400 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.7720 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -7.8130 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -9.1210 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -9.3940 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -8.3610 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -10.8210 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -10.2330 0.3800 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0200 -11.2220 0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -10.1590 -0.0460 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.0000 -1.4300 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -1.9150 -2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 -1.8080 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 1.7790 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 1.8200 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.8960 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -0.4840 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.4080 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -0.3390 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.4650 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -5.7510 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -7.6060 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -8.5760 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -11.1590 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -10.8840 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -11.4540 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 -0.3470 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 -2.9980 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -1.4470 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -1.6460 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -1.4620 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 -1.3400 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -2.8910 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 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 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END