MDPI-ZINC00061342 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 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 -0.6990 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0780 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7740 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0650 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.2460 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.8910 -1.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -6.2600 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -6.9680 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -8.3480 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -9.0290 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -8.3340 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -6.9540 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -10.7910 -1.1860 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -11.1920 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -11.2070 -1.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -11.2590 -2.3190 N 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 -0.1600 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6190 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5960 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1370 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -4.7910 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -6.4380 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -8.8970 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -8.8720 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -6.4120 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -10.5910 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -12.2020 -2.4780 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 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 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M END