MDPI-ZINC03847517 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 0.2040 1.5430 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.0190 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.5010 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -0.9970 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -1.3680 3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.9270 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -2.1670 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.8600 4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -1.3060 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -1.0710 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -0.5430 1.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -0.2370 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -1.0930 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -0.1660 1.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9960 0.8930 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -0.4860 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -0.7910 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -0.3560 2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -0.6260 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.6510 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.8440 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 1.9310 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 2.0490 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1710 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -2.5990 6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -2.0540 5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -1.0680 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -2.1340 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -0.8270 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 0.0820 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -1.6570 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -0.4990 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -0.4070 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -1.7440 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.3240 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.3320 -0.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9270 0.1990 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.3160 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 36 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 13 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 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 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 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M CHG 1 36 1 M END