PUBCHEM-ZINC05819931 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 67 0 0 1 0 0 0 0 0999 V2000 0.6740 1.2820 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.2030 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.4620 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.9640 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -2.3740 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -1.7660 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.8460 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -3.9430 0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4310 -4.3190 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -4.5390 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -5.3300 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -5.9220 -1.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8290 -5.5410 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 -5.5460 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -6.5360 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 -7.7730 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0050 -8.8880 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 -7.4640 -1.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3710 -7.8570 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -8.1360 0.6110 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -9.8920 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -10.6720 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -12.1540 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -12.9570 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -14.4360 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -15.3320 3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -14.7570 4.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4370 -6.8040 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3220 -6.0760 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -4.4540 1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 1.4430 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 1.7060 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 1.8300 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.7260 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -0.6020 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 0.0730 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -0.0490 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.4650 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -2.3500 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -0.6710 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -2.0810 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -2.0560 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -2.2210 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -2.1500 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -0.7520 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -4.3140 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -5.5700 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 -4.5030 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -5.6590 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 -10.3220 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -9.9570 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -10.2560 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 -10.5850 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 -12.5740 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -12.2490 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 -12.5470 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -12.8510 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -14.8380 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -14.5390 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 -7.2200 -4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -7.5300 -4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 -5.8840 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7030 -5.1260 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1270 -6.8160 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1080 -5.9400 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -4.3790 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 -16.5630 3.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 67 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 M CHG 1 67 -1 M END