PUBCHEM-ZINC03869955 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 1.2380 0.3530 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.9990 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -1.3120 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.7280 -1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -2.2340 0.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -2.4760 0.5550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1740 -1.7260 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -2.4560 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -1.0010 2.9650 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 0.6120 1.8840 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 1.2350 1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -0.0360 0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 1.3980 2.9280 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9520 -3.8620 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -4.8410 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -3.9170 -0.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -5.1340 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 -4.8610 -2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -3.6410 -2.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 1.5680 0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4320 1.5280 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 2.8900 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 3.6740 -0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 0.4390 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 0.3570 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -1.7990 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -1.0070 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -2.7790 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -2.5440 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -3.3280 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -3.0900 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -5.5540 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -5.8480 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -5.8760 -2.9920 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4070 3.0170 0.0990 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9260 1.6030 -0.2880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0150 2.5500 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 1.5190 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 0.8540 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END