B1GTI8 -OEChem-04042101593D 44 47 0 1 0 0 0 0 0999 V2000 1.3474 -2.9268 -0.0537 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -2.9478 -0.3383 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.7622 -1.6659 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 -1.3923 1.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 0.8203 1.7863 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0712 0.2302 -0.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -0.9891 0.5365 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3890 -0.0057 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -0.1043 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 1.2727 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 1.2123 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 -2.1855 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 -0.2353 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 2.3317 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -0.4470 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2221 2.1959 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 0.8318 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 2.1028 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.5444 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 1.8530 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 0.6264 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 0.0235 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 0.0279 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3731 0.2531 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9891 -0.4051 0.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7429 0.0541 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3589 -0.6043 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2358 -0.3747 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 -1.2176 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3399 3.3193 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -1.4531 0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 3.2114 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -2.3621 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 2.9267 -0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0587 0.3030 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 2.6085 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 0.9738 -2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 -0.7490 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 -0.2929 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0203 0.6019 -2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3514 -0.6736 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4263 0.2353 -2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7418 -0.9549 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3020 -0.5329 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 33 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$