PUBCHEM-ZINC05029686 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5260 2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -4.1130 2.8750 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -4.2720 4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -4.4160 2.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -5.0850 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -5.3970 1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -6.1580 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -6.6120 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -6.2960 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -5.5390 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -6.7770 -1.5840 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1440 -6.5000 -1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -7.4490 -2.4660 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8010 -7.3820 -1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -8.6290 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -9.7060 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 -9.3300 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -8.3960 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -6.9080 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -6.6410 -2.0970 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 -1.0200 -0.3810 0.0100 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -1.9180 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -5.0440 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -6.4010 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -5.2980 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -8.4230 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -8.9560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -10.6000 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -9.9160 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -8.8360 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -10.2310 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -8.5800 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -8.6070 -3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.6040 -4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -6.3120 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -5.5760 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -6.9280 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END