IFLAB-ZINC04941711 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.9570 0.6880 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -0.7750 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -1.8550 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -1.8930 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -2.6390 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -2.1760 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -3.2920 1.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -4.1310 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -4.0430 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -5.2980 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -5.3060 3.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -6.2050 1.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -7.4300 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -8.1190 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -9.4000 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -9.5550 2.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 -8.2970 1.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -8.0410 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 -9.1270 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1120 -8.9190 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 -7.6340 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 -6.5520 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -6.7520 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5100 -7.4360 -2.3670 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -10.4240 4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -9.5360 5.2560 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -7.9010 4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 1.1800 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.8140 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 1.2120 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -1.3250 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.8450 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.8230 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -1.1080 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.9200 -3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -2.1430 -4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -2.6420 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.2060 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -3.2820 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -1.5410 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -1.6020 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -3.4920 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -5.9400 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 -10.1420 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5020 -9.7530 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 -5.5600 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -5.8970 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -10.7610 4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -11.2800 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -7.6600 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -7.1450 5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -1.4540 -0.8580 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.7580 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 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 27 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 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 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 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 46 1 0 0 0 0 23 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END