PUBCHEM-ZINC06173322 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5970 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.9510 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7760 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.1920 -2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.5850 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.8750 -4.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.0130 -5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 2.8800 -5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 2.5830 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 1.4300 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 3.6100 -4.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 3.6940 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 4.4840 -5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 4.0540 -5.6590 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2400 4.6910 -6.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 4.4010 -8.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 5.0420 -9.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 5.9700 -8.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 6.2640 -7.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 5.6340 -6.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 5.9270 -5.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 6.9000 -4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 5.9630 -5.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 5.8860 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 7.0860 -4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 7.9130 -5.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 7.2410 -3.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 8.4020 -4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5330 7.8890 -4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 6.7230 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3550 6.4160 -3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8460 5.3550 -3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9850 4.5890 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 4.8940 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 5.9650 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 6.2570 -2.8640 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 2.5100 -0.5200 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2030 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.0280 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -2.7510 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.0410 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 0.2050 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 2.2330 -5.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 1.1970 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 3.6770 -8.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 4.8170 -10.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 6.4670 -9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 6.9890 -7.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 7.0400 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 6.5570 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 7.8470 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 4.9760 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 5.8810 -3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 8.9210 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 9.0820 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 8.6920 -4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 7.5730 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 7.0130 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9010 5.1240 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3640 3.7550 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9670 4.2950 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 5.3360 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 6.6540 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 40 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 38 2 0 0 0 0 37 69 1 0 0 0 0 38 39 1 0 0 0 0 38 70 1 0 0 0 0 39 40 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 M CHG 1 18 1 M END