PUBCHEM-ZINC00747907 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.5090 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5200 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5250 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.7520 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -2.4390 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -2.2590 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -1.4720 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -1.9550 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 -3.2220 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 -4.0060 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -3.5330 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -4.3220 -1.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -5.5890 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -6.3920 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -6.6360 -2.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -5.3690 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -4.5660 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -7.4300 -3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -6.9940 -3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -7.7800 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -9.0010 -4.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -9.4430 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -8.6640 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -9.0990 -3.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -10.3730 -4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3910 -1.1660 0.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6190 -1.2150 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8520 -2.0040 -0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6840 -0.3100 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4200 0.5970 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 1.4390 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6770 1.3860 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9450 0.4900 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9550 -0.3540 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2960 0.4390 -0.2050 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.1700 1.1870 0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5340 -0.3500 -1.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0090 1.8840 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8640 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.8680 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3800 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6100 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -0.1450 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.1600 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.0230 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -0.4890 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -3.5930 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -4.9880 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -5.3820 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -6.1640 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -5.8280 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -7.3440 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -4.7940 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -5.5760 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -5.1290 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -3.6130 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -6.0400 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -7.4390 -3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -9.6120 -4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -10.3970 -4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -10.3520 -5.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -11.1400 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -10.6000 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 -0.5850 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4370 0.6390 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2140 2.1410 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4550 2.0480 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1640 -1.0500 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 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 46 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 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 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 69 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 M CHG 1 36 1 M CHG 1 38 -1 M END