LBT3W4 -OEChem-05032300133D 47 49 0 0 0 0 0 0 0999 V2000 2.3462 -3.0534 0.4696 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 3.8470 0.9660 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 4.0612 -1.0241 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 2.9351 0.5175 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 1.3635 0.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4992 -0.6843 -0.0888 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8814 0.8864 -0.1755 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -2.4458 -0.3682 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 -0.8574 -0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 -1.1039 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4268 0.7401 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9574 -0.5575 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 1.2176 -1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 -0.3431 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.5401 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 0.9150 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -0.5358 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2981 -1.3880 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 -1.8320 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 -1.8447 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 1.9366 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -3.0852 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 0.4223 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6903 -2.5970 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 3.2094 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 0.3339 -0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 -2.1900 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5954 -0.7393 1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 1.3218 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 0.9229 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8109 -0.7817 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1433 -1.0599 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8956 0.7732 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 2.3035 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 1.2108 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 1.3652 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 0.7271 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 -3.4087 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 2.1897 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 1.4872 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 -3.9950 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 -2.2727 -1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -3.6705 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 -2.4810 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3352 -0.3682 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 0.0503 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0877 1.3226 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 23 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 38 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$