PUBCHEM-ZINC05605745 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.0050 0.0710 -3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 0.9890 -3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -1.2480 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -1.9360 -4.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0160 -2.9400 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -1.1030 -4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -1.3700 -5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 0.1240 -4.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 0.9650 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.9280 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -1.7270 -3.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0030 -0.6690 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -2.5140 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -3.6610 -3.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -1.9370 -1.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -0.5650 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.3470 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -1.7040 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -2.7160 -0.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9850 -3.1690 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -3.8010 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -3.7220 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -4.8620 0.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -5.5970 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -4.9560 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -2.2840 -4.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -1.5620 -6.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -0.3940 -6.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -2.3670 -7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -1.6420 -8.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -1.0220 -9.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -2.0900 -9.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -2.6160 -7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -2.9990 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.5620 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -0.5020 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 0.1420 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 0.4640 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -0.1100 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -1.7620 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -1.8660 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -3.2500 -5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -3.3160 -7.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.8950 -8.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -2.3770 -9.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.1000 -8.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.7850 -10.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -1.6980 -9.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -2.8960 -9.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -3.6810 -7.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -2.0880 -7.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 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 19 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 M CHG 1 4 1 M END