IBS-ZINC05141851 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.0140 2.4270 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.5990 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 1.2950 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.3380 -1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.2170 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 1.2550 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 0.9830 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.3300 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.3670 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -1.0930 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -0.6210 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -1.1140 -2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 -0.4810 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 -0.0220 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 -0.1830 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 0.0420 3.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 -0.6620 1.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5300 -0.8390 0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6500 -1.9100 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 -0.0100 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 -0.6480 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 0.0990 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0580 1.4900 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 2.1370 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 1.3930 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1540 -0.9880 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1400 -2.3590 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8340 -1.8890 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5790 -4.1850 3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 0.4170 1.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 2.6460 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.8810 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 3.3770 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 2.1450 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 0.7190 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 0.6820 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 2.2140 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 2.2910 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 1.8110 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 -2.3950 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.9100 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 -1.7330 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6810 -0.4030 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 2.0710 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2620 3.2220 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 1.9260 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9230 -0.9510 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 -0.2060 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3980 -2.4110 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 -3.1340 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0530 -2.0330 5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9080 -0.8410 4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 -2.2270 4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4110 -4.7390 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 -4.4270 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5840 -4.3930 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -0.8790 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 -2.7110 3.3930 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2170 -2.5260 2.6870 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