PUBCHEM-ZINC04558654 MOE2007 3D CORINA 3.40 0006 02.08.2006 74 77 0 0 0 0 0 0 0 0999 V2000 -0.1170 -2.5640 2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -3.6470 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.0760 0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -2.6760 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -3.8180 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.9220 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.5590 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -2.4030 -3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -2.6070 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.9550 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -3.1140 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.4030 -5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -3.4640 -5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -4.8470 -5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -5.8890 -5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -5.7000 -7.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -6.6880 -7.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1190 -8.1260 -7.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -8.3790 -6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -6.5060 -8.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -6.6120 -10.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -4.3020 -7.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -3.2830 -7.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.0040 -5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.3480 -4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 0.9560 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.6390 -6.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.0050 -6.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -0.3330 -6.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -0.9270 -7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -0.2350 -7.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 1.0710 -8.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.6930 -7.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 1.9250 -9.5170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 2.9190 -10.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 2.4590 -8.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 1.7460 -4.5820 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 3.1670 -4.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 1.1150 -5.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -1.8160 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -2.0400 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -3.0040 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -4.1450 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -4.4370 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -1.7740 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -2.3960 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -3.5090 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -4.6920 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -4.1340 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -2.3850 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -2.1100 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -3.0960 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -3.3700 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -5.0460 -4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -6.8800 -5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -8.7730 -8.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -8.3380 -6.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -9.4230 -5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -7.7460 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -8.1880 -6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -7.2860 -8.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -5.5500 -8.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -7.5890 -10.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -6.4860 -11.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -5.8470 -10.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -4.0800 -8.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -2.2890 -7.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -0.8480 -4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 2.6610 -6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -1.9470 -6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -0.7120 -8.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 2.7110 -8.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.8420 -10.4320 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8930 1.3570 -3.1790 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 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 45 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 51 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 52 1 0 0 0 0 11 53 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 23 2 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 26 27 2 0 0 0 0 26 37 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 72 1 0 0 0 0 34 35 2 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 37 38 2 0 0 0 0 37 39 2 0 0 0 0 37 74 1 0 0 0 0 M CHG 1 17 1 M CHG 1 73 -1 M CHG 1 74 -1 M END