PUBCHEM-ZINC04556744 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 1.3370 1.7420 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 0.4140 2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -0.2870 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 0.3340 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 1.6740 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 2.3730 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -0.4310 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.5730 -1.4630 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5760 0.4050 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -1.4340 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -2.3740 -2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -1.2010 -1.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -1.0700 -2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -0.0650 -3.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -2.4340 -3.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7860 -3.0640 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -2.2840 -4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -3.6060 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -3.3470 -5.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -4.6270 -5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 2.2860 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.0730 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -1.3210 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 2.1810 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 3.4110 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 0.0820 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -1.4290 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.8020 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -1.6230 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.7760 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -4.2630 -5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -4.1240 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -2.6550 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -2.8480 -6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -5.3270 -6.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -5.1210 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -1.1160 -2.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9860 -4.2800 -6.6150 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5260 -5.1150 -6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -3.8200 -7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -3.6370 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -3.1090 -3.9000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1730 -4.1300 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -2.8380 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -2.7410 -4.8410 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 28 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 17 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 1 M CHG 1 42 1 M END