MDPI-ZINC04235419 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 0.0990 1.5870 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 0.0800 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.5970 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -1.9800 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.6900 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.0090 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.6220 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.7210 -2.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0020 -3.6810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6070 -1.0860 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -2.8860 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -3.1280 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -4.3720 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -4.6080 -4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -3.6680 -4.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -5.9770 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -6.2050 -3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -7.5920 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 -7.8760 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 -9.1730 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 -10.2140 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -9.9570 -3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -8.6430 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -8.3780 -4.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -7.1220 -4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -6.9340 -4.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -9.4970 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -5.1760 -3.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -1.6600 -4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -0.4300 -4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -0.1160 -4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -1.0310 -4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -2.2600 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -2.5770 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -4.0500 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.9590 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 1.9370 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 1.9550 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.0450 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -2.5060 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.0900 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -3.6910 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -3.8400 -4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.3880 -5.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -2.2910 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -5.2080 -4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 -7.0710 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -9.3910 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 -11.2350 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 -10.7740 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -9.7410 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -9.2180 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -10.3660 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -4.3050 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 0.2840 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 0.8450 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -0.7850 -4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -2.9750 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -3.5390 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -4.4510 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 M END