PUBCHEM-ZINC05846507 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -4.4030 0.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -4.7320 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -3.7830 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -2.8220 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -4.4350 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -5.7920 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -5.9240 0.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3670 -7.1930 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 -6.7380 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3640 -7.9390 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -6.2510 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 -6.8650 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0530 -4.9270 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2020 -4.5280 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 -4.0270 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3680 -2.5960 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -7.5190 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -7.9460 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -7.0580 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4560 -2.2360 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 -2.4350 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 -2.0530 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 12 1 M END