PUBCHEM-ZINC04461080 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 -7.6810 0.6220 -6.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9740 -0.5650 -5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -1.0840 -4.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -2.2700 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -2.7890 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -3.9750 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -4.4860 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -3.9840 -2.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -5.5010 -1.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 -6.2280 -0.7410 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2740 -6.6860 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -7.3310 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -6.7280 1.1590 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -5.9610 -0.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9150 -6.6980 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.7960 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -4.7820 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -3.7140 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.6590 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -2.6720 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -3.7390 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 -5.2500 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 -4.2320 0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 -5.5120 -0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -4.5260 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5750 -4.9950 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 -3.9560 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9860 -4.4240 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6150 0.9910 -6.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 1.4160 -5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 0.3020 -7.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 -0.2450 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 -1.3590 -6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -1.4030 -5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 -0.2890 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 -1.9510 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 -3.0640 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -3.1080 -4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -1.9940 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -3.6560 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -4.7700 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 -7.3780 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -8.2990 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -5.6060 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -3.7030 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.8240 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -1.8480 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -3.7480 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9690 -4.4080 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9780 -3.5720 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7440 -5.1130 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7340 -5.9490 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3800 -3.8370 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3900 -3.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1550 -4.5430 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1460 -5.3790 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 -3.6840 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 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 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END