IBS-ZINC00940847 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.7340 0.7100 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.8050 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.0950 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -2.3950 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -3.2600 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -2.7660 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -3.0070 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -3.3320 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -3.3550 -0.7250 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -2.9160 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -2.7390 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -2.9110 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -3.2230 -3.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -2.7220 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -2.8980 -5.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -2.5690 -7.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -1.5140 -7.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -1.2110 -8.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -1.9440 -9.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -2.9850 -9.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -3.3120 -8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -4.3380 -8.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -2.3550 -5.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -2.0640 -5.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -2.9050 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -2.1540 3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.0610 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -2.7140 5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -3.4630 4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -3.5660 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -2.6200 6.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -3.3170 6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 0.9300 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 1.1670 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 1.1110 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.2070 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.2630 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 -3.5520 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -2.4900 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -3.2800 -5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -0.9400 -6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -0.3980 -8.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -1.6970 -10.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -3.5490 -10.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 -4.0790 -8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -1.6450 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -1.4790 5.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -3.9700 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -4.1520 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -4.3830 6.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.9420 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -3.1590 7.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 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 10 2 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 40 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 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 23 24 3 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END