MDPI-ZINC03845796 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 0 0 0 0 0 0999 V2000 0.0650 1.4790 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.1180 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.6570 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -0.0720 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.2880 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 2.0640 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 1.9260 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 2.1760 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 2.8140 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 3.0440 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -0.9030 -0.4410 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4180 -2.1140 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -0.3750 -0.5500 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8140 2.0860 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.3390 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -1.7200 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 3.1270 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 2.8730 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 1.2610 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 1.2280 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 2.8410 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 3.1250 -2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 3.5330 -2.5690 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END