PUBCHEM-ZINC04589204 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 0.1700 1.5020 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.0040 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.7480 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.1150 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.4820 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.0510 -1.5250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -3.9040 -0.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4610 -4.5440 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -3.9740 -2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -4.3860 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -5.3480 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -4.5140 -1.3130 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -3.6790 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -3.4450 -1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -3.6420 -3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -3.9020 -3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -3.8650 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -3.5720 -6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -3.3130 -6.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -3.3400 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -3.5350 -7.6940 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4360 -3.7620 -7.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -3.2770 -8.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2050 1.8430 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.8560 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.8970 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.3160 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.8300 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -4.8970 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -3.5070 -3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -6.3500 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -5.3720 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -4.1320 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -4.0660 -5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -3.0860 -7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -3.1330 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END