PUBCHEM-ZINC05408301 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -3.7710 0.2070 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -0.6730 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -1.6680 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -2.6280 -0.9220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5940 -3.0480 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -3.7000 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -3.4460 1.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4020 -4.2920 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -2.1390 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.7820 0.2590 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -3.3460 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -2.8290 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -3.8550 3.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -3.8210 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -4.8570 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 -5.5370 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3590 -5.7620 3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5730 -6.0650 5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 -5.1110 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -4.9310 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -5.7630 0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -5.1880 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -4.8880 -3.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -5.3190 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -5.9550 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -6.0380 -2.5680 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 0.9090 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 -0.3950 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 0.7870 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -1.2170 -3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.0320 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -1.1230 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 -2.2470 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -1.3030 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -2.2390 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -4.2640 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -4.0020 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -2.8110 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 -4.7030 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -5.8810 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 -6.4780 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 -4.9530 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9570 -4.8530 3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0310 -6.5780 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -5.9390 6.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2150 -7.1020 5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -4.1810 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -5.5800 5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -4.3800 -2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -5.1780 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -6.3860 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 -4.7340 3.5870 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5230 -3.7490 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END