IBS-ZINC05484145 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.1580 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -0.4670 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8640 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.6200 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9990 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -2.7500 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.3420 -4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -0.2620 -5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 0.5430 -6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 1.7580 -6.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -0.0600 -7.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 0.7460 -8.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1680 1.6430 -8.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -0.0700 -9.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8040 -0.4300 -9.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 0.7980 -10.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 0.9470 -11.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 1.7430 -12.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 2.3900 -12.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 2.2390 -12.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 1.4390 -11.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 2.9320 -13.6130 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2940 3.6340 -14.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 2.7990 -13.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6850 -1.1850 -9.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 1.1390 -8.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 0.7830 -7.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.2360 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -2.3490 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -3.6980 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -2.9790 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 1.4210 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.3400 -5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -1.0290 -7.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 0.4420 -10.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1790 1.8610 -12.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 3.0120 -13.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 1.3190 -11.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 -0.9390 -9.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 1.8860 -8.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 2.1130 -8.6030 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 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 8 9 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 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 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END