IFLAB-ZINC04139256 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.8090 0.9890 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.4630 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.5840 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.9360 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -2.4390 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -3.2380 -0.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -2.8130 -1.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -4.2160 -1.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7630 -4.8370 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -4.5020 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -4.5170 0.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6180 -4.0320 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -3.8850 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -2.7460 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -2.4310 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -3.3400 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -4.5650 2.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -7.0340 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -8.4160 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -8.7470 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -7.8250 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -6.4030 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 1.3350 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.0870 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 1.6560 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -1.0790 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 0.0090 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -1.6230 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -0.2290 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -0.4300 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -0.6780 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -2.0910 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -3.9250 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -4.2170 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -5.5580 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -2.1530 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -1.5780 3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -3.3430 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -6.7580 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -7.0180 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -9.1740 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -8.4660 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 -8.1500 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -7.8730 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -6.3430 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -5.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -6.0020 0.3090 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1910 -6.0810 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 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 2 0 0 0 0 5 7 1 0 0 0 0 7 8 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 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END