IFLAB-ZINC04585398 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.1490 1.6690 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 0.1660 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.4520 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.8370 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -2.6010 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -1.9830 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.5980 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.0280 -2.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.5620 -3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -1.5850 -3.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 0.0350 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 1.2100 -4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 1.7650 -6.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.1600 -7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -0.0080 -6.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.5760 -5.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -0.5980 -7.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 0.0390 -9.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.4650 2.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -2.2930 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.8400 4.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -3.6350 5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -4.2230 6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -5.0230 6.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -5.2530 6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.6830 4.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -3.8700 4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -3.2320 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -3.3900 2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -1.4230 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 2.0710 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.9600 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 2.0640 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 0.1420 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -3.6780 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -2.5770 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 0.8870 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 1.6860 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 2.6740 -6.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.5990 -8.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -1.4880 -5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 1.0480 -9.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 0.0880 -9.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.5330 -9.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -4.0520 6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -5.4770 7.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -5.8840 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -4.8660 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.3800 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.7140 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -1.5450 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END