MDPI-ZINC03850205 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.8820 0.6470 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 0.6170 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 0.3890 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.4420 0.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5770 -0.3260 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -1.9330 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.5660 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -4.0510 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -4.5640 -0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.1740 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -0.6880 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -0.4180 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 0.3820 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.6750 4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 1.4860 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 2.0060 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 1.7200 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 0.9120 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 0.6250 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 1.6900 4.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0890 2.5990 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 2.0340 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 2.9730 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 1.3290 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 0.9980 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -0.3370 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.5070 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 0.2780 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 1.2310 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -2.0440 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -2.5420 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -2.4740 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -2.0440 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.3010 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -0.8350 4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 0.2740 5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 2.6360 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 2.1360 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 1.0440 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 3.5950 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7670 2.2180 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6600 2.6920 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.5910 -2.3930 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1450 2.0990 -1.2770 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 43 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 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 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M END