MDPI-ZINC03847201 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 0.0740 1.3670 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.0460 0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.5630 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.2090 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.3990 -3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.8030 -3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.5760 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -1.9680 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.6520 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.0690 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -2.4760 -4.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8210 -3.4400 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -1.6020 -5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 0.4670 -4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.4330 -6.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.6840 -6.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.6890 -5.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -3.8650 -5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.0500 -6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -3.0500 -7.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.8790 -7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.2130 -8.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -5.1390 -6.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -6.1670 -5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 1.7810 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.8350 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.5920 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 1.2940 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -3.6570 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -4.4380 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -4.3940 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -4.5010 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -1.4030 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -2.0320 -5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 1.2380 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 0.9650 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -0.4590 -7.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.4660 -6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -4.6200 -4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -1.1330 -8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -4.0820 -8.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -6.6200 -5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -5.7910 -4.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -6.9470 -5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -0.2680 -5.3940 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6450 0.3150 -5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 14 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 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 45 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END