B4KSQ5 -OEChem-04022104343D 28 30 0 0 0 0 0 0 0999 V2000 0.3013 -0.7157 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 -0.2909 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 1.0993 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 0.3966 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 -1.1135 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 1.5343 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 0.1540 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 1.7260 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9621 -0.4693 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 0.9248 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 -2.6010 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 1.2262 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 -1.1554 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 0.9913 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7596 -1.3901 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -0.3167 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0548 2.5575 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 2.8082 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 -1.0564 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 1.3969 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -3.0063 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 -2.9561 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -3.0045 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4468 2.2570 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 -2.0185 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 1.8268 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1372 -2.4085 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7211 -0.4996 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 17 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$