MDPI-ZINC03845409 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 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 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.9680 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -2.6570 -1.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -4.1240 -1.1930 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5240 -4.5430 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -4.5670 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9620 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2950 -4.2860 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -4.4220 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -5.1410 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -5.5630 2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -5.2660 3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -4.5470 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -4.1210 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -4.6030 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -5.7290 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 -6.1680 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0290 -5.4810 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6280 -4.3550 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 -3.9190 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -1.9870 -1.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -0.7710 -1.4290 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.8910 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -2.2100 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -4.2240 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -5.6540 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -5.3720 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -6.1250 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -5.5970 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -4.3150 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -3.5560 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -6.2660 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -7.0480 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0510 -5.8240 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3370 -3.8180 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -3.0410 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 M END