@MOLECULE FDBD00337 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 Br 27.7767 -11.3579 0.5302 Br 1 UNK -0.1126 2 C 15.3327 -9.9302 -1.0872 C.3 1 UNK 0.1332 3 C1 14.9411 -11.2348 -0.2731 C.3 1 UNK 0.1332 4 C2 16.6104 -9.4358 -0.3712 C.3 1 UNK 0.0137 5 O 14.2234 -10.0289 -0.2337 O.3 1 UNK -0.3566 6 C3 16.0605 -11.3257 0.7893 C.3 1 UNK 0.0137 7 N 16.5392 -9.9436 1.0168 N.4 1 UNK 0.2473 8 C4 17.7877 -10.0743 -1.1424 C.3 1 UNK 0.0303 9 C5 17.1676 -12.2102 0.1667 C.3 1 UNK 0.0303 10 C6 17.8128 -9.8598 1.7574 C.3 1 UNK -0.0408 11 C7 15.5921 -9.1609 1.8345 C.3 1 UNK -0.0408 12 C8 18.2970 -11.3808 -0.4864 C.3 1 UNK 0.1135 13 O1 19.0148 -12.1871 -1.4321 O.3 1 UNK -0.4605 14 C9 20.1664 -11.6384 -1.8452 C.2 1 UNK 0.3171 15 O2 20.8335 -12.1971 -2.7001 O.2 1 UNK -0.2501 16 C10 20.6290 -10.3321 -1.2500 C.3 1 UNK 0.1044 17 C11 21.7976 -10.5876 -0.3048 C.ar 1 UNK -0.0315 18 C12 21.0561 -9.3511 -2.3601 C.3 1 UNK 0.0612 19 O3 21.2238 -8.0461 -1.8004 O.3 1 UNK -0.3939 20 C13 21.6296 -10.4126 1.0712 C.ar 1 UNK -0.0577 21 C14 22.7061 -10.6293 1.9351 C.ar 1 UNK -0.0615 22 C15 23.9477 -11.0175 1.4251 C.ar 1 UNK -0.0617 23 C16 24.1132 -11.2019 0.0491 C.ar 1 UNK -0.0615 24 C17 23.0348 -10.9917 -0.8134 C.ar 1 UNK -0.0577 25 H 29.2867 -11.3579 0.5302 H 1 UNK 0.1126 26 H1 15.4656 -9.5693 -2.0857 H 1 UNK 0.0681 27 H2 14.6515 -12.2570 -0.4005 H 1 UNK 0.0681 28 H3 16.7220 -8.3719 -0.3473 H 1 UNK 0.0880 29 H4 15.7469 -11.7455 1.7222 H 1 UNK 0.0880 30 H5 18.5944 -9.3722 -1.1771 H 1 UNK 0.0357 31 H6 17.4345 -10.3221 -2.1216 H 1 UNK 0.0357 32 H7 16.7261 -12.8357 -0.5808 H 1 UNK 0.0357 33 H8 17.6042 -12.7852 0.9564 H 1 UNK 0.0357 34 H9 18.5678 -10.4060 1.2315 H 1 UNK 0.0778 35 H10 17.6855 -10.2776 2.7342 H 1 UNK 0.0778 36 H11 18.1086 -8.8351 1.8435 H 1 UNK 0.0778 37 H12 14.6291 -9.1664 1.3681 H 1 UNK 0.0778 38 H13 15.9418 -8.1532 1.9187 H 1 UNK 0.0778 39 H14 15.5188 -9.5956 2.8094 H 1 UNK 0.0778 40 H15 18.9606 -11.0790 0.2968 H 1 UNK 0.0738 41 H16 19.8182 -9.8948 -0.7057 H 1 UNK 0.0485 42 H17 20.3023 -9.3202 -3.1189 H 1 UNK 0.0568 43 H18 21.9799 -9.6775 -2.7902 H 1 UNK 0.0568 44 H19 20.3858 -7.7512 -1.4108 H 1 UNK 0.2094 45 H20 20.7133 -10.1242 1.4482 H 1 UNK 0.0621 46 H21 22.5840 -10.5024 2.9520 H 1 UNK 0.0618 47 H22 24.7434 -11.1683 2.0648 H 1 UNK 0.0618 48 H23 25.0289 -11.4923 -0.3280 H 1 UNK 0.0618 49 H24 23.1520 -11.1352 -1.8286 H 1 UNK 0.0621 @BOND 1 2 3 1 2 2 4 1 3 2 5 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 6 7 1 9 6 9 1 10 7 10 1 11 7 11 1 12 8 12 1 13 9 12 1 14 12 13 1 15 13 14 1 16 14 15 2 17 14 16 1 18 16 17 1 19 16 18 1 20 17 20 ar 21 17 24 ar 22 18 19 1 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 1 25 1 28 2 26 1 29 3 27 1 30 4 28 1 31 6 29 1 32 8 30 1 33 8 31 1 34 9 32 1 35 9 33 1 36 10 34 1 37 10 35 1 38 10 36 1 39 11 37 1 40 11 38 1 41 11 39 1 42 12 40 1 43 16 41 1 44 18 42 1 45 18 43 1 46 19 44 1 47 20 45 1 48 21 46 1 49 22 47 1 50 23 48 1 51 24 49 1