MDPI-ZINC04266236 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.2960 1.3070 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.1890 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.5110 1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6530 -0.0200 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0560 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 0.7520 3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 1.4030 3.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7260 0.9750 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 2.9190 3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 3.3510 4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 2.0310 5.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0240 1.1850 4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 0.9420 4.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 1.2950 4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 2.0110 5.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -0.1570 5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 2.2000 6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -2.0280 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.8000 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.7470 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 1.4820 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 1.8340 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -0.5930 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.6780 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.4380 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 3.4580 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 3.1360 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 4.1270 5.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 3.7580 4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 3.0700 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 1.9550 6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 1.5350 4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -0.6680 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -0.1690 6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -0.7670 5.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 2.7300 7.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 1.2310 7.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 2.7720 7.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -2.3190 1.8020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 M CHG 1 39 -1 M END