PUBCHEM-ZINC05578204 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 0 0 0 0 0 0999 V2000 0.5590 0.7720 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.4820 0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.7570 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 0.0890 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -0.3160 -2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -1.5710 -3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -2.4300 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.0130 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -3.6360 -2.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.6010 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -1.9960 -4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -3.3890 -6.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -4.1150 -7.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -3.1480 -7.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -2.3090 -6.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -1.5990 -5.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -3.9070 -8.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -5.1050 -8.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -3.1060 -9.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -3.6290 -10.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -2.8290 -11.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -3.4240 -12.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -3.6790 -12.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -4.8670 -11.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -4.5430 -9.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -3.5260 -9.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 0.8590 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 1.6010 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.8260 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 1.0690 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 0.3610 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -2.6420 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -4.2740 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -5.5260 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -4.8200 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -1.1590 -4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -2.7540 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -4.1090 -6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -2.6840 -7.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -4.6600 -8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -4.8720 -6.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.4800 -8.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -1.5630 -7.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -2.9510 -6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.8690 -6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.0930 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -2.1190 -9.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -4.6800 -10.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -1.8010 -11.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -2.7370 -12.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -2.7330 -13.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -4.3560 -13.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 -2.7760 -11.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -3.9100 -13.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -5.2960 -11.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -5.6620 -11.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -4.1820 -9.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -5.4840 -9.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -3.6560 -8.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -2.5120 -9.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.6070 -5.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0020 -3.2790 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 61 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 61 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END