MDPI-ZINC03852324 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.7540 -1.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7800 -4.6160 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -3.4770 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -3.1750 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -4.3430 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -5.6200 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -5.9220 -1.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7830 -6.8310 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -6.1060 -0.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -7.3120 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -8.2440 -0.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -7.5020 1.3560 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 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -5.5350 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -3.6150 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.6460 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -2.2660 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -3.0380 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -4.4810 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -4.1280 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -6.4510 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -5.4820 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -5.3610 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 -6.5620 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -7.8200 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -8.2640 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END