IFLAB-ZINC01068154 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.1090 1.2020 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.2590 -0.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.8550 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -2.2420 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.0000 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.2180 -0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.3620 -1.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.0190 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.4770 -2.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -3.1420 -2.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.5500 2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -1.3830 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.3860 1.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -3.8930 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -4.4320 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -5.8340 3.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1330 -5.8030 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -6.3230 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -8.3100 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -9.7360 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 -10.0220 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -8.6060 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -7.8080 3.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -6.6590 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -6.7270 2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 1.5480 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 1.5030 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 1.6400 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -3.3210 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -2.5910 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -4.0970 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -1.2840 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -3.8460 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -4.5540 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -4.4790 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -3.7710 3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -6.3540 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -5.6420 4.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -9.8340 5.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -10.4170 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 -10.5110 5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -10.6230 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 -8.2050 5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 -8.6270 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -5.7570 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -6.5440 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -6.8220 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -6.8050 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -7.6650 4.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 49 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END