MDPI-ZINC03850353 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5780 -1.7280 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -0.7110 -1.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4670 -1.7340 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 -0.0190 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -0.1630 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -0.0140 0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 0.0300 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -0.0910 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -0.7070 -4.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 0.4860 -4.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 0.3280 -6.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 1.0370 -7.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 1.6180 -6.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 1.0250 -8.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 1.6820 -9.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 1.6650 -10.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 1.0010 -11.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 0.3480 -10.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 0.3610 -9.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -1.1490 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 0.6170 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.4060 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.0820 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 0.7570 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -0.7320 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 2.2000 -9.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 2.1720 -11.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 0.9910 -12.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -0.1680 -10.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -0.1450 -8.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 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 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END