MDPI-ZINC03852439 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.8420 1.5580 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 0.0320 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.4560 -1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -1.7870 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.5220 -1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -2.3060 -2.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -3.6930 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -4.5150 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -5.8840 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -6.4370 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -5.6220 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -4.2520 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -3.3800 -4.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4070 -3.8740 -5.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.1690 -4.5050 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0700 -7.9310 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 1.8510 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.9850 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 1.9240 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.3950 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -0.2610 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -1.7170 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.0840 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -6.5230 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -6.0570 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -8.3630 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -8.1590 -3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -8.3530 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END