PUBCHEM-ZINC05688329 MOE2007 3D CORINA 3.40 0006 02.08.2006 83 82 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7100 -1.9470 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -2.4400 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0090 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.5210 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 0.0310 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -0.4760 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 0.0530 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -0.4530 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 0.0760 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -0.4310 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.1970 2.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5450 -0.3740 1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8220 1.6110 2.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5340 -0.5140 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9930 -0.0840 4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5610 -0.6840 5.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 -0.2540 5.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5880 -0.8540 6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0480 -0.4240 7.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5930 -1.0000 8.2940 N 0 3 0 0 0 0 0 0 0 0 0 0 15.5190 -2.4660 8.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3330 -2.9620 7.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9940 -0.5880 8.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5620 -1.1870 9.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8110 -0.5230 9.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8890 1.0030 9.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -2.3080 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -2.3240 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -3.5300 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -2.0790 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -2.0630 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0990 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -0.3430 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.1600 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.6110 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.1690 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.3210 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 1.1200 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.1250 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -1.5660 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -0.2980 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 1.1430 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -0.1020 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -1.5430 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -0.2750 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 1.1660 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -0.0790 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -1.5210 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 -0.1600 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 -1.6010 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5730 -0.4380 3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0480 1.0030 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 -0.3300 6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5060 -1.7710 5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6000 -0.6080 4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0760 0.8330 5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0080 -0.5000 7.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5330 -1.9410 6.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6280 -0.7780 6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1030 0.6630 7.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9230 -2.8930 9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4790 -2.7720 8.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2780 -4.0500 6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9280 -2.5350 6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3730 -2.6560 7.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5740 -0.9420 7.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0490 0.5000 8.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6020 -0.8810 9.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9820 -0.8330 10.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5070 -2.2750 9.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7720 -0.8290 9.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2160 -0.9500 10.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9280 1.3100 9.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4840 1.4310 8.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3090 1.3570 10.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 21 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 23 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 27 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 29 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 M CHG 1 3 1 M CHG 1 23 1 M END