PUBCHEM-ZINC02834698 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.0290 1.2280 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.1260 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.7100 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 0.0920 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 1.4510 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 2.0140 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 2.3020 -0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4200 3.4970 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 1.8070 0.4610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2540 -2.1520 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -2.8540 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -4.3080 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -5.0760 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -4.7200 0.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -3.8230 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -4.1540 0.3940 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -2.2250 0.1380 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -6.1500 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -6.5390 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -5.7080 2.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.6770 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -0.7360 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 3.0740 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -2.6540 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -6.3560 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -6.7250 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.4620 0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -7.8090 2.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -8.0110 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -0.7690 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 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 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END