PUBCHEM-ZINC04098595 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 57 0 0 1 0 0 0 0 0999 V2000 -0.2230 1.3760 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.1180 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.4490 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.4220 1.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.9310 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -2.1890 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -3.6860 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -3.9440 4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -5.4410 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -5.7000 5.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -7.1970 6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -7.4560 7.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -8.9570 7.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -9.2760 8.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4030 -8.8230 8.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -10.7830 9.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -11.0960 10.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -10.4790 11.5430 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3910 -10.6510 12.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -8.9800 11.3970 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7170 -8.6810 12.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -8.0130 11.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -6.8610 10.9560 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5090 -11.1480 11.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -12.0790 11.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.8190 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.5710 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.8850 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.5360 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.6030 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -2.3460 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.4130 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -1.7530 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -1.6840 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.1190 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -4.1880 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -3.5110 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -3.4410 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -5.8730 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -5.9440 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -5.2690 5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -5.1950 6.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -7.6280 6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -7.7010 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -7.0300 7.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -6.9420 8.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -9.3710 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 -9.4590 6.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -11.2610 9.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 -11.2230 8.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -12.1850 10.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4110 -10.7240 10.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -8.0340 12.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -8.5210 11.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -8.6720 10.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0850 -7.6440 10.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -8.7560 10.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 55 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 25 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 55 1 M END