MDPI-ZINC03852127 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.4770 1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.0410 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -0.4750 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 0.0680 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -1.2270 -0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1500 -1.1050 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -2.1650 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -2.0210 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0820 -2.6060 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -2.3220 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -1.8510 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -0.0290 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.4640 -1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5250 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -0.7580 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.2350 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -1.4810 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -1.2490 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -0.7760 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -1.9920 0.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9790 -2.1950 -1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -2.2080 1.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.0460 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -0.4890 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 0.6610 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 0.6560 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -3.1870 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -1.7530 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -2.8240 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -1.9050 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 1.0580 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -0.4690 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.5660 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -1.4160 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -1.4410 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.5980 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 14 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 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END