BXP79E -OEChem-04012112583D 41 41 0 0 0 0 0 0 0999 V2000 1.3568 -2.3674 -1.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2547 -1.4361 0.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5229 0.1656 1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -0.0634 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 0.9384 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 0.2741 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 0.6186 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 -0.6995 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -1.3784 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 0.1692 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 0.8327 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -1.6980 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2033 0.6930 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 2.3522 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 1.6876 1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 -1.0686 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 -0.3528 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 1.8191 -1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3735 -0.4864 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 1.2561 -1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 -0.4210 -2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 -0.5418 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 -2.7265 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 0.4100 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6886 1.6672 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 2.9469 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 2.8438 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7486 2.4151 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 2.5648 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 1.9834 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 1.3944 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1934 -0.7647 2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.1526 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 -0.6134 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6269 -0.0746 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7323 -1.3320 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 1.6870 -2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 2.8419 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 1.7128 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -3.2119 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 -1.5274 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 40 1 0 0 0 0 2 19 1 0 0 0 0 2 41 1 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 2 0 0 0 0 5 14 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$