IFLAB-ZINC04354566 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.9790 1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -2.4180 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -1.8900 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2260 -2.3240 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.4660 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -2.2760 -2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -2.4800 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -3.8660 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -5.0080 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -6.0640 2.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -5.6800 3.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -4.3190 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -3.4230 4.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -2.1380 4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -1.6660 3.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -6.5440 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -7.7910 4.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -8.6410 5.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -8.2500 6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -7.0060 6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -6.1550 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -9.0820 7.3220 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -0.0900 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.2100 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -2.0260 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -3.5070 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -3.3620 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.9010 -3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -1.8410 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -5.0070 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -1.4400 5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -8.0970 4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -9.6110 5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 -6.7030 6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -5.1870 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END