IFLAB-ZINC04553863 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.6320 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -0.3510 1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -0.3380 -1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -2.2790 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -2.9600 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -4.4590 1.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2890 -4.6180 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -5.1590 2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -5.8640 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -6.4180 4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -6.1640 4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -5.1790 2.5960 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -5.1290 -0.4780 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -4.6260 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -5.1100 -0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -6.8420 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -7.2790 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -8.6220 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -9.5300 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -9.0910 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -7.7480 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -10.8430 -0.3240 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -2.7940 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.8020 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.5570 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -5.9920 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -7.0120 4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -6.5130 4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -6.5710 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -8.9630 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -9.7980 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -7.4060 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END