PUBCHEM-ZINC04763660 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -1.2300 0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -0.2070 -0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -0.7450 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -0.2850 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -1.0430 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -0.6210 -4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 0.5600 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 1.3170 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 0.8930 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 1.0120 -5.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6330 0.3450 -6.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 2.0520 -5.4220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6000 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -0.2970 0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -1.0460 2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -1.1390 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -1.6530 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -3.0120 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -3.4840 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -2.5960 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -1.2370 5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -0.7650 4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -1.8340 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -0.3930 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.9650 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -1.2130 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 2.2400 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 1.4830 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7310 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -1.8240 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -0.1530 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -3.7060 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -4.5460 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -2.9640 6.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -0.5430 6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 0.2970 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 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 4 1 0 0 0 0 2 17 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 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END