MDPI-ZINC03844616 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.0240 1.4520 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.1170 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.6270 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.0420 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 1.2810 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 2.0360 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 3.4530 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 4.0770 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 5.5210 1.6140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0120 5.6140 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 6.3740 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 7.7070 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 7.5020 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 6.0690 1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 1.9000 0.6510 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6140 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 2.6950 1.5700 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1110 -2.0460 -0.8160 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8440 -2.8620 -0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -2.3990 -1.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.5110 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 0.2450 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -0.3960 -1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9960 -0.1320 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 0.0400 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -1.2280 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -2.2790 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -1.8300 -1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 2.0330 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -0.6220 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 3.9790 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 3.5500 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 5.8930 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 6.5420 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 7.8850 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 8.5330 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 7.9790 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 7.9000 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -1.5860 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 1.3200 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 0.3400 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 0.8510 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -1.5540 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -1.0440 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -3.2630 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -2.3060 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 18 1 M CHG 1 20 -1 M END