MDPI-ZINC03844370 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 0.6080 1.1140 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.4020 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.8240 -1.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -2.1360 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.9060 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -2.6480 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -4.1020 -0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -4.7820 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -4.1900 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -6.2760 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -6.7970 -0.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6160 -6.2640 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -8.2710 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 -8.7300 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 -10.0710 1.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -10.9380 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -12.1260 0.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -10.5080 -0.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -9.1940 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -8.8040 -2.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -11.4710 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 -10.5690 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 -7.7680 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -6.5710 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -6.0470 -2.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -6.9510 -1.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5880 -6.7020 -3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0350 -7.1990 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 1.4310 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.3830 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.6080 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -0.8960 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.6710 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.1800 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -2.4060 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -4.5740 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -6.7440 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -6.5190 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -12.4770 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -11.4180 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -11.2360 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -10.8730 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -11.4250 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 -9.7800 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -6.9580 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -8.2940 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -7.3580 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5680 -5.6320 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -7.2310 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0540 -8.2690 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6120 -6.6710 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4690 -7.0130 -4.1890 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 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END