MDPI-ZINC04235571 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.5350 1.8950 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 0.5440 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.2060 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 0.4010 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 1.7650 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 2.5030 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -0.3370 -1.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 0.2270 -1.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 -0.5080 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 0.1100 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 -0.6020 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 -1.9780 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 -2.7240 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 -4.0500 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 -4.7060 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 -3.9970 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -2.6190 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -1.8700 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -2.4650 -0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -4.6400 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 -6.0380 0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -6.6190 0.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -7.9540 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -8.5870 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -9.9330 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -10.6650 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 -10.0390 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 -8.6940 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 -12.0270 1.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 -4.9630 0.5330 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -4.7610 1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8510 -6.2490 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 1.8310 -1.2900 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9030 1.9320 -2.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 2.4460 -0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 2.4770 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 0.0760 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -1.2600 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 2.2410 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 3.5580 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5380 -0.1120 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 -2.2380 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -2.8250 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -4.1900 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -5.5410 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -8.0190 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -10.4220 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0670 -10.6100 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -8.2100 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -12.4650 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -12.5380 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1670 -4.3030 -0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7870 2.3600 -0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 3.3050 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0260 -4.7300 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END