MDPI-ZINC03848664 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 0.0530 1.6020 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.0840 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.4610 -1.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6940 -0.0440 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0180 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.9760 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -2.5800 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -3.9720 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -4.8000 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -4.1920 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.8010 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -6.3050 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -6.7790 -1.0260 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0820 1.9680 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 2.0810 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 1.9220 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.3380 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.2390 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.0670 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -0.4770 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.2950 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -1.9750 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -4.4190 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -4.8120 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -2.3710 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -6.9850 -1.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 2 0 0 0 0 M CHG 1 13 -1 M END