IBS-ZINC06661310 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.7940 1.2560 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.0150 -0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4070 0.2480 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -0.6220 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.6090 1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -0.0450 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -0.5920 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -1.0000 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 0.1340 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 0.7360 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 1.0860 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 -0.3550 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 0.2770 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 -0.4780 -0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 -0.3130 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -1.5200 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -1.4720 -0.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 1.5070 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 2.2240 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.9970 -0.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.9130 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.0030 -2.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -2.0170 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -2.4840 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -3.5300 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -4.1070 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -3.6360 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -2.5910 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -2.1760 -4.0270 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.0130 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 1.7140 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 1.0060 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 0.1820 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -1.4550 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -1.3520 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -1.8640 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 1.6210 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 0.0020 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.4120 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.9260 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 -2.2780 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 1.2350 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 2.1810 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 2.9490 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 2.7400 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -1.7880 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -2.0320 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -3.8940 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -4.9210 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -4.0780 -4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 1.2340 1.9190 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5480 1.7490 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 0.7590 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 51 1 M END