PUBCHEM-ZINC02047304 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2090 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4110 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.8470 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 4.2180 -0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 4.1840 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.2910 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 5.8140 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 6.1720 3.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 6.3790 4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 6.3000 3.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 6.6850 5.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 6.6650 5.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 6.3530 4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 6.2460 3.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 6.9620 6.5580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2730 7.3770 6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 7.9750 7.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 7.9940 7.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 7.0040 6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 5.7040 7.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 4.6550 6.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 5.7450 8.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 4.5220 9.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 4.8420 10.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 3.5940 11.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 2.4700 10.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 2.9140 10.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 4.1620 9.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 5.2860 10.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 1.8060 9.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 1.7270 9.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -2.5700 -0.0230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.4970 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 3.8690 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 3.8940 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 6.2360 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 6.2110 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 8.7090 7.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 8.7440 7.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 6.0990 7.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 7.4470 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 6.5840 8.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 3.7850 8.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 4.1220 9.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 5.6430 11.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 3.2780 11.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 3.8220 12.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 2.2420 9.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 1.5810 11.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 3.1420 11.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 3.9340 8.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 4.4780 9.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 5.5140 11.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 6.1750 9.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8540 2.3840 10.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7810 1.0150 9.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 0.9310 8.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 0.9870 8.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 64 2 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 64 65 1 0 0 0 0 M END