MDPI-ZINC03844130 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5400 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7510 -0.4550 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -1.9750 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -2.3410 1.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2120 -1.7330 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -3.8000 1.9820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9920 -3.9570 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -4.2030 2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -4.7150 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -4.8650 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -5.0300 -0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -4.7630 0.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5010 -4.3340 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.8850 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.9760 0.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6600 -2.1630 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.5010 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1600 -0.1680 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.4430 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.0380 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 0.6030 -3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.4570 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 0.2940 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -6.1430 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9180 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.9020 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8920 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -0.1760 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 0.0340 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -2.4610 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.2730 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -3.3500 3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -4.9980 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -4.0010 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -5.6820 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -4.9850 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -4.4280 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.8080 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -2.6300 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -0.7420 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 0.8920 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -1.4880 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.1490 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 0.0450 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -1.5260 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 1.3600 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -0.0280 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 0.1060 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -6.0660 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -6.8410 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -6.5010 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 M END