PUBCHEM-ZINC03874812 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 66 0 0 1 0 0 0 0 0999 V2000 -1.1820 1.8680 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 0.4850 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.0710 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -0.4300 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -1.8130 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -2.5930 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -2.1860 -0.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -0.8700 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 0.0060 -0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -3.8590 -0.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -3.8010 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.5930 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -5.0450 -1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7860 -4.8690 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -5.5020 -2.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5360 -5.2270 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -7.0430 -2.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9240 -7.5330 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -7.2200 -1.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7790 -7.0510 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -6.1570 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -8.5510 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -8.5670 0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -7.6880 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -7.6350 -2.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -8.9320 -2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -9.7180 -3.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -9.4110 -3.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0880 -9.0770 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -8.9300 -4.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5230 -9.5210 -4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 -9.2030 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 -9.7750 -4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0490 -10.6660 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9550 -10.9820 -5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7020 -10.4110 -5.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3220 -11.1480 -5.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5610 -12.0280 -6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -5.1040 -3.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3580 2.4900 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 2.2950 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 1.9560 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.6810 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.3290 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 0.9120 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -0.4520 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -4.6680 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -8.7070 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -9.3890 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -7.0390 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -7.8360 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -9.1500 -5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -8.5010 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7270 -9.5170 -3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0430 -11.6620 -6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 -10.6670 -6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6190 -12.3060 -6.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3650 -11.5330 -7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9730 -12.9470 -6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -10.9200 -3.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4380 -11.3350 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -11.2500 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -11.2770 -3.6670 H 0 0 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 4 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 47 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 38 1 0 0 0 0 38 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 60 1 M END