PUBCHEM-ZINC05798687 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.0180 1.0450 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.4120 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.9770 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.4240 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -1.2570 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.6380 3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -3.2120 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.3620 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.6360 -0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.4640 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -1.4260 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -2.2500 -3.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -0.4400 -3.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.2470 -4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -3.9870 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -4.6220 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -5.3790 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -4.2160 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.5900 4.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.3830 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.4850 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.2140 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.5810 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.6530 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -3.3100 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -4.2920 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 0.1650 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 0.7120 -4.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.0590 -5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.2580 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -3.9520 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -4.5860 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -5.7090 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -4.2270 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -6.3550 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -5.4020 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -5.0600 -4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -3.3800 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -5.1480 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -3.9930 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -2.0310 5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -1.9640 5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.7050 6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -4.3690 -2.5530 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2120 -3.4440 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 44 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 44 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END