MDPI-ZINC04264877 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 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 0.7790 -0.5230 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.4820 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.7860 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -0.5530 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.8360 -2.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9200 -1.3640 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.4500 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 0.9090 -2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.1920 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 0.1230 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -0.9050 -3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -0.5850 -4.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -2.3640 -3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.5170 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -1.6260 -3.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9870 -1.7930 -2.2840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5670 -2.7890 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -1.9100 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.5880 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -2.0510 -4.6500 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 1.8780 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.1510 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -1.5390 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 0.5030 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -1.2480 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -1.1440 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.2420 -2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.3230 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 1.2210 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 1.7810 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 1.1640 -3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -2.9120 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -2.7690 -4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -2.2160 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -3.5570 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -2.3780 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -2.5770 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -0.7650 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 0.1120 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.4140 -4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -3.0890 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -1.9500 -5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 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 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M END