PUBCHEM-ZINC04185479 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 73 0 0 0 0 0 0 0 0999 V2000 3.2070 0.7570 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.5850 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.7260 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -1.9540 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -3.0480 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -2.9030 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -1.6700 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -4.0880 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.2950 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.9770 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -6.1500 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -6.1010 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -4.9680 -1.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -7.1370 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -8.2420 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -9.2020 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -9.0680 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -7.9730 -4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -7.0040 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -7.8340 -5.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -10.1190 -4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.5450 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -3.3620 2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -5.4620 3.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -5.0510 4.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -5.7410 5.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -7.1900 5.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -7.5160 4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -6.8990 3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -7.8690 6.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -9.2440 6.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -9.9120 7.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -9.2140 8.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -7.8440 8.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -7.1690 7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -9.9330 9.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3940 -11.1390 8.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -9.3190 9.8880 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6340 0.8840 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.8120 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 1.5460 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 0.1250 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -2.0640 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -1.5560 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -4.0960 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -4.0160 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -5.0070 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -6.9380 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -8.3480 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -10.0590 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -6.1480 -3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -7.2860 -6.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -7.2920 -5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -8.8240 -5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -9.8580 -5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -10.1740 -5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -11.0860 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -3.9690 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -5.3500 5.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -5.3620 5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -5.5360 6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -7.1120 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -8.5980 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -7.3720 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -7.0400 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -9.7910 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -10.9820 7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -7.3010 8.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -6.0990 7.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 48 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 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 24 29 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 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 M CHG 1 36 1 M CHG 1 38 -1 M END