L6U3SM -OEChem-05022323063D 51 53 0 0 0 0 0 0 0999 V2000 -0.0929 3.2286 -0.4782 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 -0.1791 -0.2285 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8662 -2.8747 0.2154 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 3.6082 -1.8663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 4.2276 0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1302 -0.3790 2.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3760 -3.3974 -0.2698 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9971 -2.5799 -1.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 2.0966 -0.3421 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -0.2615 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 0.3797 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 0.7919 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 1.0796 -1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 1.4849 1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 -0.9638 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4608 2.1981 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 -0.2342 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2682 -2.3391 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 1.4938 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 2.0902 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6219 -0.8796 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 -2.9847 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6802 -2.2548 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2229 0.6818 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 1.2781 1.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 0.5737 0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7558 -0.2726 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -1.0487 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6411 -1.9129 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3311 -2.6508 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -1.0149 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6508 -0.3851 -2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 1.1128 -1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 1.5513 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 0.3205 2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 0.3397 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 1.5602 -2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 0.7474 1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 2.2576 1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 0.8372 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 -2.9217 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 1.5615 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.6287 2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 -4.0553 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 0.1537 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2417 1.2107 2.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9122 -0.3229 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 -1.6925 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2518 -2.6487 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3808 -1.2858 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8215 -3.8691 -1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 21 1 0 0 0 0 3 23 1 0 0 0 0 6 27 2 0 0 0 0 7 30 1 0 0 0 0 7 51 1 0 0 0 0 8 30 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 18 41 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 25 2 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 24 26 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 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$