MDPI-ZINC03845619 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0390 -0.7470 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.1060 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.3090 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -3.3710 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.9200 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8170 -0.7590 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.7070 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -1.5380 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -2.8300 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -3.5940 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -3.0640 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -1.7680 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -1.0060 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7190 -3.8140 1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -3.1280 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -2.8160 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -3.8260 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -5.1490 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -5.4640 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -4.4580 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.0070 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 0.3470 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -3.2420 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -4.6030 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 -1.3530 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 0.0050 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 -3.7290 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -1.7830 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -3.5840 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -5.9380 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -6.4980 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -4.7040 -0.0130 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END