IBS-ZINC06658989 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.4770 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0520 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0130 -0.4360 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.5470 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -1.2240 -1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.2380 -2.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.7190 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.2380 -4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 0.9740 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.3820 -6.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 0.6330 -7.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.5250 -6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.0010 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.5200 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.6550 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.3900 2.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.1360 3.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5990 -0.4670 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.5870 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -3.4390 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -4.6290 3.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -2.6870 4.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -1.2880 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -3.1740 5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -2.3440 6.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -2.8250 6.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -4.1360 6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -4.9660 5.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -4.4850 5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -4.6090 7.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -5.9690 7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.8610 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.8250 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8350 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.3030 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -0.3350 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -1.8090 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.5920 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 2.3250 -7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -1.1110 -7.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.9530 -5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -0.7320 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -2.8100 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -2.7420 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -1.0800 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.6170 4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.3230 6.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -2.1800 7.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -5.9880 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -5.1300 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -6.1040 6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -6.6240 7.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -6.2180 7.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 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 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END