IBS-ZINC05141854 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.0340 2.3420 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 1.4060 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.0920 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 0.1580 -1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -0.0100 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 0.9870 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 0.6710 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -0.6460 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -1.6420 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.3230 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 -0.9860 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 -1.3110 -2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 -0.9920 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -0.6920 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 -0.7090 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -0.4880 3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -1.0240 1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 -1.2810 0.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9860 -0.5290 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -2.6810 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9550 -2.8560 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 -4.1350 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 -5.2540 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -5.0980 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -3.8210 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1050 -1.0860 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3490 -2.3670 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1850 -1.4800 4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0950 -3.8920 3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -0.4840 1.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 2.5690 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8780 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 3.2860 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 1.8700 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 0.5950 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 0.4040 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.0010 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 2.0240 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 1.4670 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -2.6700 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -2.1070 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5190 -2.0000 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 -4.2600 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 -6.2490 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -5.9720 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -3.7320 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -0.9880 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 -0.2140 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 -2.4150 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 -3.2470 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5260 -1.5990 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0960 -0.4810 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2270 -1.6620 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8820 -4.5790 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4680 -4.1110 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1570 -3.9450 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -1.7320 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7960 -2.4900 3.3910 N 0 3 0 0 0 0 0 0 0 0 0 0 12.3980 -2.3320 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 57 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 30 2 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 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 58 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 58 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END