BOH6R4 -OEChem-04022106233D 45 48 0 0 0 0 0 0 0999 V2000 0.4838 -3.7657 0.3386 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 0.1041 1.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 1.2271 1.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6193 1.3516 -0.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 -1.3482 -0.1183 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 -0.6874 -0.2484 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 -1.6898 0.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -2.8967 0.2552 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 -1.3949 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.6631 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -2.8981 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 -0.7760 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -2.6676 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.6317 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4925 0.0530 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 -0.7017 -1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 1.5880 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7078 0.7303 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 1.0306 -1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9428 -0.0244 -1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 0.6916 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 2.9434 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 2.3861 -1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 3.3425 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 -0.9096 2.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 2.2793 2.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0617 2.0640 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 -3.2942 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 -3.0881 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -1.2523 -2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 1.2706 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2222 0.2990 -2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 -0.0575 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 3.7445 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 2.6969 -2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 4.3976 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -0.7682 3.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -1.9058 2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1101 -0.8243 3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.8110 3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 2.9291 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0407 2.8374 2.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0203 2.5280 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3735 2.8752 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2472 1.3894 1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$