PUBCHEM-ZINC00038644 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -1.2420 1.4520 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 0.1070 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.3770 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -1.6170 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -2.3640 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -1.8790 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -0.6480 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.1350 -2.2410 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8240 -0.9060 -2.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 1.0570 -2.4910 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0750 0.3830 2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.2250 3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -1.4360 3.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.6000 4.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5370 1.2220 5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 1.4920 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 2.3300 6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 1.4020 7.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 0.5100 7.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.3280 6.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3790 -0.9500 5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -1.2060 6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.1010 5.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 2.2330 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 1.4800 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 1.6160 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -1.9960 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -3.3290 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.4650 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.3470 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 0.8690 4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 2.1530 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 2.9650 5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 2.9520 6.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 0.7790 7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 1.9980 8.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.1510 8.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.1320 7.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.1060 7.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.6460 7.2230 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 30 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 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END