PUBCHEM-ZINC05453244 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 63 0 0 0 0 0 0 0 0999 V2000 -1.0380 -0.0310 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 0.2730 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -2.0640 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.3610 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -0.3250 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 1.1450 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 1.3180 1.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 1.7760 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 3.2990 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 3.9830 0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 3.8150 -1.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 5.2450 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 5.4800 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 6.9670 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 7.6350 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 7.4050 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 5.9200 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 1.0390 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.4920 3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 1.4080 2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 2.7570 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 3.1030 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 2.0910 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 0.7380 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 0.3970 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9330 2.4520 2.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2170 3.6560 2.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7600 1.5300 2.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.0660 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 0.6120 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 0.1620 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.3220 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 0.1030 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -2.5330 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -2.4410 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.8770 3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.0370 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -3.4410 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -0.6650 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -0.9690 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 1.7630 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 1.5260 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 1.4330 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 1.3250 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 3.1970 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 5.6760 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 4.9610 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 5.0470 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 7.0940 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 7.4620 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 7.2380 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 8.7110 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 7.8380 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 7.9280 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 5.8020 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 5.4250 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 3.5380 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 4.1560 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 -0.0560 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -0.6500 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -0.5710 1.9860 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4060 -0.2730 2.9700 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 32 1 0 0 0 0 2 33 1 0 0 0 0 2 61 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 3 61 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 61 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 17 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 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 61 1 M END