IBS-ZINC05342573 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 0.1590 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -0.4620 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8610 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6200 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9980 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -2.7480 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -4.1680 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -2.4710 -4.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -3.9000 -4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 0.3510 -4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -0.2280 -5.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 0.5450 -6.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 -0.0730 -7.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 0.6870 -8.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 0.0040 -9.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 1.0330 -10.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 0.9820 -11.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 2.1520 -12.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 3.3780 -11.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 3.4440 -10.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 2.2740 -9.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 2.0450 -8.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 2.7370 -7.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -1.3290 -9.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -2.0000 -8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -1.3990 -7.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.2370 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -3.6980 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -4.6450 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -4.4830 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -4.4590 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -4.2580 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -4.2740 -4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -4.2580 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.4290 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 1.5130 -6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 0.0290 -11.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 2.1140 -13.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 4.2900 -12.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 4.4050 -10.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -3.0800 -8.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 29 2 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 27 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 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 M END