IFLAB-ZINC05241157 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.3110 1.5480 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 0.0400 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -1.9350 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -2.3480 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -1.7460 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.6460 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -0.1520 -2.2930 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 -1.3880 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -2.1690 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -3.2590 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 -3.7260 -0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -3.7030 1.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -1.5780 -2.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 -0.8110 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 0.2380 -3.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0260 -1.3370 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2510 -2.7090 -3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5250 -3.1660 -4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5670 -2.2570 -4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3400 -0.8820 -4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0650 -0.4240 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6540 0.3010 -4.3150 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.1040 -0.0700 -6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1330 0.9320 -6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.0430 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 1.8510 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 2.0600 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 1.9010 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.3170 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.4340 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -2.2160 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -2.3900 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -3.4410 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -2.0170 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -3.3140 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -4.4690 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 -2.3890 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4500 -3.4340 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7080 -4.2320 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5570 -2.6370 -4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8770 0.6430 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2090 -0.0190 -6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5170 -1.0810 -6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4010 0.7100 -7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0510 0.8910 -5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7440 1.9560 -6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -0.1800 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 1.1250 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -0.4210 -0.2120 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5900 0.0040 0.6510 H 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 29 1 0 0 0 0 2 30 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END