PUBCHEM-ZINC04097128 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.2410 1.2310 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.1240 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.7120 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.0560 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 1.4190 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 2.0030 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 2.1770 -0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -0.5220 -0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.1890 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9870 -2.3580 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -2.6950 0.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -3.7880 1.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9920 -4.3790 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -4.6810 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -5.3630 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -6.2560 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -6.9380 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -7.7930 -1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -8.4970 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -8.4230 -3.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -9.3590 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -9.4470 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 -10.2520 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 -10.9780 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -10.9010 -3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -10.0870 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -10.0040 -4.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 -11.6160 -4.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -3.2130 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.0150 2.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.8750 -1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 1.6860 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.7230 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 3.0600 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.2320 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -0.8530 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -1.9520 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -5.4390 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -4.0740 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -4.6050 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -5.9700 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -7.0140 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -5.6490 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -6.1800 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -7.5450 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -7.8520 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -8.8830 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -10.3190 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 -11.6070 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -10.6590 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 -11.1460 -5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -2.7680 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -4.0310 3.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -3.6150 4.7110 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 31 52 1 0 0 0 0 53 54 1 0 0 0 0 M END