PUBCHEM-ZINC03725853 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.1890 1.5380 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.0400 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.5320 -1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.8880 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -2.7620 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -4.1460 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -4.6320 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -3.7660 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -2.3970 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -1.4780 -3.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -1.9690 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -0.8190 -5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -0.8440 -6.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 0.1940 -7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 1.2630 -7.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 1.2930 -6.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.2560 -5.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -5.0660 0.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8490 -4.4790 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -5.5050 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -4.9510 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -5.6040 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -6.6390 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -6.8220 1.2050 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -6.9920 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -8.1830 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -7.0370 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -5.8090 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 1.9770 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.7490 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 2.0280 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.1420 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -0.3750 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -2.3780 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -5.6890 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -4.1920 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -2.4720 -4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -2.6660 -5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -1.6700 -6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 0.1670 -7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 2.0690 -7.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 2.1230 -6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 0.2930 -4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -4.1070 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -5.3260 4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -7.2960 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -6.2840 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -7.3490 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -8.9160 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -8.6910 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -6.7110 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -7.6970 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -5.3500 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -5.0760 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -6.2310 -0.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1590 -6.8850 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -7.8060 -0.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -7.2590 -0.6590 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 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 55 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 57 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 55 1 M END