MDPI-ZINC04204377 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1190 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8260 -2.2980 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -4.2390 -2.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3390 -4.6090 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -4.6900 -3.6350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6890 -5.2820 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -3.3660 -4.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7230 -3.0710 -5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.3980 -3.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -3.5060 -4.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -3.1650 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -3.4230 -4.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -3.9440 -5.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -4.0100 -5.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -4.4960 -6.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -4.9160 -8.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -4.8780 -8.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -4.3990 -6.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -4.3650 -7.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -5.4470 -4.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -6.3910 -5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -6.5780 -5.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -7.2170 -6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -4.6970 -2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -4.8730 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -4.6520 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -5.3460 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.4460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.4700 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -2.7420 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -5.3070 -8.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 -4.0240 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -4.6820 -7.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -6.9070 -6.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -7.0710 -7.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -8.2710 -6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -6.3200 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -5.4300 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -4.6310 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 M END