MDPI-ZINC03851449 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 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 0.8460 -2.2760 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -4.2190 -2.4450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6460 -4.6360 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -4.7940 -3.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1420 -5.8820 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -4.3660 -4.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0600 -4.7860 -3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -2.8380 -4.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2720 -2.5290 -4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -2.3660 -3.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.2810 -5.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -0.9500 -5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -0.2740 -4.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -0.3000 -6.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -4.2920 -4.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -5.0870 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -6.1680 -5.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -4.6330 -6.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -4.5570 -1.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -4.6990 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -4.5470 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -5.0500 0.1880 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 1.5530 -1.0640 -6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 0.2190 -7.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.4140 -5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -4.5800 -6.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -4.9490 -6.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -5.0740 -7.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -3.5460 -6.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -5.1460 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -4.2620 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -5.9940 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -4.8510 -5.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -4.5250 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 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 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 0 0 0 0 M END