IFLAB-ZINC00129843 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.1160 1.5590 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.1410 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.5600 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 0.0300 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.7620 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -2.1570 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -2.7520 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -1.9640 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -2.4640 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -3.8750 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -2.9960 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -3.1120 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -3.7410 -2.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5980 -3.0770 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 -1.8880 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8570 -3.9610 -2.3920 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7660 -4.7210 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1270 -3.1370 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4880 -2.1670 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5510 -2.8540 -4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3010 -3.6820 -4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -4.6860 -3.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9360 -5.3060 -3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9650 -5.7170 -4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0040 -5.8600 -3.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 1.9470 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 1.8940 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 1.9620 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 1.1060 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -0.2860 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -3.8350 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -4.0940 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -4.2780 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -4.3610 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -3.9980 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -2.5520 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -2.1260 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -3.7150 -2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -4.7490 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9670 -3.8270 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0150 -2.5790 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4540 -1.6990 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7540 -1.3540 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4320 -3.5080 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6880 -2.1020 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 -4.1930 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 -3.0180 -5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1750 -6.3120 -5.2590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 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 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 M CHG 1 48 -1 M END