PUBCHEM-ZINC04556745 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.1550 -0.1510 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -1.2760 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.2940 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.1830 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.9440 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 0.9590 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -0.1890 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -0.0630 -1.7510 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7130 -0.9300 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -0.0100 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.1360 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 1.1570 -2.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 1.2060 -3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.2560 -4.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 2.5890 -4.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5340 3.3650 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 2.8720 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 2.8340 -4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 3.2500 -5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6530 3.0650 -4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.1420 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.1430 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -2.1770 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 1.8160 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.8340 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 0.6250 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -1.1150 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 1.9780 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 2.1370 -5.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 3.8590 -5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 3.4770 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 1.8100 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 2.6410 -6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 4.2960 -5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6810 3.7050 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.0230 -4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 -1.0930 -0.9660 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8140 3.4460 -5.3590 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6940 3.3250 -4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7720 4.4300 -5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8840 2.8630 -6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 2.6440 -5.0450 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2850 3.4640 -5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 2.6220 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.7820 -5.6100 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