PUBCHEM-ZINC00717583 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.1370 1.0200 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -0.2150 -1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.8190 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -0.3470 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -1.0040 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.1430 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -2.6280 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.9690 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.4960 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.7730 0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -3.8480 -0.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -4.5830 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -5.8430 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -6.6980 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -5.7940 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -4.9290 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -8.0260 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -8.6850 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -9.6570 2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -10.2470 3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -9.8720 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -8.9110 4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -8.3210 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -2.8500 1.6150 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5060 -2.3030 1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -3.9570 2.0750 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7300 1.3570 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.7860 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 0.9030 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 0.5240 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -0.6210 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -3.5000 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -4.3460 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -3.9340 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -6.4350 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -5.5670 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -7.6400 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -6.1810 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -5.2760 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -6.1020 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -4.0130 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -5.4510 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 -7.4920 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -8.8010 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -9.9690 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -11.0000 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -10.3320 5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 -8.6210 5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -7.5730 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -7.0350 0.7160 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9930 -7.5150 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 50 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 50 1 M END