B2OLX6 -OEChem-04012118052D 58 61 0 0 0 0 0 0 0999 V2000 2.8602 -0.8120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 -1.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -1.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8491 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1598 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7997 1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8986 1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1221 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7491 2.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3524 2.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5705 2.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6071 0.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3890 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9923 1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0912 2.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3093 1.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7060 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7421 -0.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1062 -2.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -2.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3462 -2.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 1.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7994 1.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5978 1.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 2.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3579 1.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 1.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -0.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 2.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 22 2 0 0 0 0 5 25 2 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 18 2 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$