PUBCHEM-ZINC00690147 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 0 0 0 0 0 0999 V2000 -0.8140 -7.9730 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -6.9840 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -6.5020 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -5.5580 1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -5.0960 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -5.5380 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -6.4850 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.1060 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.9350 0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -4.5700 -1.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -5.9840 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -6.4270 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -5.6320 -2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -7.7950 -1.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -8.5150 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -9.8230 -1.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -10.3020 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -9.3300 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -7.7900 -1.9570 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -11.7650 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -12.4220 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -12.4600 -3.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -12.9790 -3.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 -13.6570 -4.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -15.0080 -4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -17.1400 -5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -17.4100 -7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -16.1490 -7.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -15.0270 -7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -3.6130 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -3.7100 -3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.5980 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -7.4450 5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -8.6190 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -8.6220 4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -6.8560 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -5.1860 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -5.1540 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -6.8330 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -6.1530 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -6.6020 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -8.3800 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -9.4460 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -12.2220 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -11.9610 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -12.8870 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -12.9880 -5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -13.7970 -4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -15.6790 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -14.9140 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -17.2370 -5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -17.7390 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -17.5300 -8.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -18.3090 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -16.0210 -8.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -16.1750 -7.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -14.6020 -7.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -14.2380 -6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -3.2660 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -4.4770 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -3.4670 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -1.5980 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -2.6310 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -15.6850 -5.9850 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7860 -15.6790 -6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 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 42 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 64 1 M END