PUBCHEM-ZINC04755586 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.6570 -0.5770 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.9120 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.8010 1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -4.0290 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -4.3750 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -3.4830 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -2.2480 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -3.8470 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -5.0580 -2.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -5.6800 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -5.3850 -3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -6.4660 -4.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -4.4580 -4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -3.2730 -4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -3.0000 -3.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.2400 -5.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -2.4500 -6.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -3.8790 -7.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -4.8300 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -4.2960 -7.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -3.4990 -8.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -5.5980 -8.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -6.0070 -9.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -7.2540 -9.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -7.6590 -10.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -6.8180 -11.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -5.5720 -11.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -5.1640 -10.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -4.7480 -12.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -5.2310 -13.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -8.8810 -10.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -9.2320 -11.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 0.1580 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.2560 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.6680 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -2.5350 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -4.7180 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -5.3340 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -1.5540 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -2.3180 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -1.2470 -4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -1.8530 -7.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -2.1590 -6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.8030 -6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -5.8350 -6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -6.2510 -7.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -7.9100 -8.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -7.1340 -12.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -4.1910 -10.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -6.1470 -14.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 -5.4360 -13.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -4.4780 -14.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -8.5130 -11.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -9.2230 -12.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -10.2300 -11.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END