PUBCHEM-ZINC05511834 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.4310 1.6070 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 0.0910 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -0.5330 -0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -1.8860 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.5550 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -3.9290 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -4.6500 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -3.9740 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -2.6010 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -6.1220 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -6.7090 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -6.8160 -0.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -6.3560 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -8.2660 -1.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6870 -8.5230 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -8.7090 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -8.1190 -3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -7.3520 -3.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -8.9640 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -8.4970 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -9.1380 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -10.2450 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -10.7120 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -10.0740 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -11.8980 1.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8390 -12.4620 3.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -12.3100 1.1670 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7350 1.8490 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.9710 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 2.0830 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.2730 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.1510 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -1.9970 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -4.4480 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -4.5280 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -2.0780 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -9.7970 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -8.3640 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -7.6320 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -8.7730 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -10.7450 3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -10.4420 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -8.4460 -4.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -8.0430 -5.4050 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END