IBS-ZINC02138775 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0460 -2.1240 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -4.0510 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -4.7170 2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -4.6560 2.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -4.1230 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -6.1170 2.6520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9740 -6.5080 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -6.5230 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -7.5860 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -7.9580 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -7.2660 4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -6.2020 3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -5.8270 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -6.6750 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -5.9290 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -2.1400 2.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -1.3560 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.9850 4.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -0.9600 3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 -0.1540 4.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 0.1880 4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -0.2670 3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 -1.0660 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -1.4210 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -2.2230 1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -2.5480 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -2.5590 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -3.2690 0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -8.1270 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -8.7900 5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -7.5570 5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -5.6620 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -4.9940 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 0.2020 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 0.8140 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5440 0.0080 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.4160 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -8.0020 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -8.3120 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 52 53 1 0 0 0 0 M END