PUBCHEM-ZINC04523459 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.4290 1.4550 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.0690 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.7660 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.1480 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.5280 0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -2.9250 -0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -4.2860 -0.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2200 -4.8380 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -4.4600 0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6210 -3.9590 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -3.9710 0.3500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4760 -2.8820 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -4.6510 -0.9000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0380 -4.2680 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 -4.4260 -2.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0640 -3.3590 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -4.8520 -1.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -5.2060 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -4.9000 -4.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -5.0660 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -6.0510 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -6.3640 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -4.2940 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -5.1450 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -5.8680 0.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -5.9010 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 2.2700 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 3.6510 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 1.3520 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.9880 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -0.4580 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.1740 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.2630 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.8840 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -2.5610 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -6.2880 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -4.9340 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 2.3690 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.7290 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 3.5970 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 4.2470 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 4.3830 1.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7030 5.3240 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 3.8900 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 4.4920 1.9340 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 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 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 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 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 42 1 M END