PUBCHEM-ZINC05497159 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 1.0760 1.5420 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.1310 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.4300 1.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 -1.5000 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.1970 2.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 0.0590 1.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6980 -0.8970 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 0.3070 0.0740 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 1.2570 2.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0610 1.0160 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 1.1250 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.7180 3.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 2.5450 2.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 3.2380 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 2.8200 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 2.0480 2.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 4.1500 1.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2450 3.8900 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 4.8490 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 4.4840 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 5.0520 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 5.9860 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 6.3550 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 5.7910 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.4290 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -0.8930 2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.8270 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 1.5400 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 1.9570 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 2.2400 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 3.7390 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 4.7540 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 6.4170 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 7.0740 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 6.0760 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.9590 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -1.8190 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.4510 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 5.0160 2.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 4.4890 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 5.8040 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.0490 0.7340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 42 -1 M END