BR4T1A -OEChem-04022108213D 35 37 0 0 0 0 0 0 0999 V2000 2.0428 -2.8954 -0.0235 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1239 0.7869 -0.5178 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 2.2275 0.2749 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 0.3221 -0.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 -2.4228 1.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 0.2838 -0.4092 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 2.2209 0.3561 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -2.9070 -0.9952 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7604 -2.3862 0.8192 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 2.1540 0.4122 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 -2.6828 -0.4729 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 -1.6294 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1809 1.8603 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -0.2536 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 1.5581 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 2.3729 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 0.9857 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -2.7408 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 1.5223 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5075 2.0105 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 0.6233 -1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8451 1.1357 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -2.1462 2.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -1.6781 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -1.8768 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 3.0943 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 3.0546 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 0.5955 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 2.4088 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -0.0513 -1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -1.2795 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -1.9276 3.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 -3.0262 2.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 1.6659 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8446 3.0868 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 6 14 2 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 8 18 2 0 0 0 0 9 11 2 0 0 0 0 10 19 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 20 22 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 M END $$$$