MDPI-ZINC03846048 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 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 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -0.5730 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -0.1300 2.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3980 0.9510 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -0.8220 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -0.5050 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 0.4770 4.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 0.1330 5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 -1.1930 5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -2.1740 5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -1.8290 3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.3210 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -1.7990 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4830 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -0.6880 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2140 1.0620 C 0 0 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 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -1.5980 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -1.6610 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -0.1500 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -1.9030 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -0.5510 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 -0.5060 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 1.5120 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 0.8990 6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 -1.4610 6.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -3.2090 5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -2.5960 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.5680 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -2.4200 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -1.8560 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -0.4410 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 0.4040 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -0.1030 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -0.4290 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 41 42 1 0 0 0 0 M END