MDPI-ZINC03848601 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.8500 0.8590 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 0.9180 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.6210 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 2.9150 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 3.4790 5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 2.8160 6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 1.5630 6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 0.9830 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -0.2610 5.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.7990 7.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 1.3580 8.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 3.6500 2.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0360 3.5330 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 3.0080 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 5.1610 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 5.9290 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 6.5060 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 7.1840 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 7.2850 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 6.7230 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 6.0840 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 5.5440 1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 6.5200 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 6.7960 -1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.2130 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 1.0530 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 1.2810 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.9750 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.1300 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 4.4490 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 3.3100 7.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -0.5110 6.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 2.2860 8.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 1.5160 8.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 0.6390 9.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 3.3660 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 3.2010 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 5.6620 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 5.2670 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 6.4330 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 7.6260 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 7.7930 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 7.3360 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 6.0250 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 6.9190 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 6.2550 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 1.5150 1.4110 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3770 1.3280 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END