MDPI-ZINC03847522 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.4500 1.4060 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.0830 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6980 -0.5080 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -0.9270 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.2020 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -1.6360 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -1.7960 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.5430 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.1260 4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.9620 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.5800 2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -0.3860 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -1.7120 6.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -2.2110 5.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -1.0410 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.1560 -1.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3550 0.9020 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -0.3620 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.1650 -3.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -0.9250 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -0.7140 0.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 2.0250 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 1.6970 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.6720 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -1.8280 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.9380 5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0090 6.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -2.3840 4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -0.7480 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -2.0900 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.3520 -1.2410 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4430 -1.3250 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.1620 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -0.6850 -2.5080 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4860 -1.7340 -0.9930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 34 -1 M CHG 1 35 -1 M END