@MOLECULE FDBD02301 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.9239 1.1315 -1.6582 C.3 1 UNK -0.0587 2 C1 0.8155 0.0834 -0.5488 C.3 1 UNK -0.0170 3 C2 -0.4853 0.1070 0.2564 C.3 1 UNK -0.0587 4 C3 1.4690 -1.2776 -0.7964 C.3 1 UNK -0.0064 5 C4 2.0988 -0.2953 0.1932 C.3 1 UNK 0.0663 6 C5 3.3732 0.3922 -0.2245 C.2 1 UNK 0.3126 7 O 3.3753 1.5808 -0.4416 O.2 1 UNK -0.2505 8 O1 4.5060 -0.3160 -0.3552 O.3 1 UNK -0.4412 9 C6 5.7184 0.4278 -0.6472 C.3 1 UNK 0.2129 10 C7 5.8906 0.5324 -2.1054 C.1 1 UNK 0.1123 11 N 6.0236 0.6131 -3.2307 N.1 1 UNK -0.1923 12 C8 6.9029 -0.2885 -0.0516 C.ar 1 UNK 0.0103 13 C9 6.9971 -1.6650 -0.1463 C.ar 1 UNK -0.0538 14 C10 8.0826 -2.3251 0.3987 C.ar 1 UNK -0.0579 15 C11 9.0763 -1.6109 1.0400 C.ar 1 UNK -0.0193 16 C12 8.9843 -0.2300 1.1364 C.ar 1 UNK 0.1288 17 C13 7.8963 0.4308 0.5834 C.ar 1 UNK -0.0116 18 O2 9.9602 0.4749 1.7666 O.3 1 UNK -0.4560 19 C14 9.7653 1.8064 1.9548 C.ar 1 UNK 0.1284 20 C15 8.9187 2.2495 2.9610 C.ar 1 UNK -0.0193 21 C16 8.7222 3.6037 3.1502 C.ar 1 UNK -0.0583 22 C17 9.3679 4.5173 2.3377 C.ar 1 UNK -0.0615 23 C18 10.2117 4.0785 1.3340 C.ar 1 UNK -0.0583 24 C19 10.4168 2.7255 1.1449 C.ar 1 UNK -0.0193 25 C20 2.1805 -1.4866 -2.1347 C.3 1 UNK 0.0537 26 C21 2.8596 -2.8576 -2.1426 C.3 1 UNK 0.1474 27 Br 1.4904 -4.2667 -2.2107 Br 1 UNK -0.0585 28 Br1 4.0270 -3.0016 -3.7179 Br 1 UNK -0.0585 29 Br2 3.9340 -3.0662 -0.5095 Br 1 UNK -0.0585 30 Br3 0.8680 -1.3969 -3.5957 Br 1 UNK -0.0846 31 H 0.4262 2.0278 -1.3519 H 1 UNK 0.0235 32 H1 0.4662 0.7561 -2.5495 H 1 UNK 0.0235 33 H2 1.9552 1.3436 -1.8490 H 1 UNK 0.0235 34 H3 -0.8276 1.1163 0.3516 H 1 UNK 0.0235 35 H4 -0.3103 -0.3035 1.2289 H 1 UNK 0.0235 36 H5 -1.2277 -0.4753 -0.2482 H 1 UNK 0.0235 37 H6 1.1412 -2.2950 -0.7482 H 1 UNK 0.0326 38 H7 2.3940 -0.3403 1.2207 H 1 UNK 0.0422 39 H8 5.6456 1.4084 -0.2254 H 1 UNK 0.0948 40 H9 6.2557 -2.2003 -0.6247 H 1 UNK 0.0622 41 H10 8.1508 -3.3523 0.3265 H 1 UNK 0.0619 42 H11 9.8863 -2.1042 1.4470 H 1 UNK 0.0654 43 H12 7.8296 1.4587 0.6466 H 1 UNK 0.0658 44 H13 8.4363 1.5680 3.5675 H 1 UNK 0.0654 45 H14 8.0929 3.9338 3.8986 H 1 UNK 0.0619 46 H15 9.2198 5.5286 2.4806 H 1 UNK 0.0618 47 H16 10.6886 4.7623 0.7257 H 1 UNK 0.0619 48 H17 11.0541 2.3987 0.4019 H 1 UNK 0.0654 49 H18 2.9175 -0.7228 -2.2700 H 1 UNK 0.0451 @BOND 1 1 2 1 2 2 5 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 25 1 7 5 6 1 8 6 7 2 9 6 8 1 10 8 9 1 11 9 10 1 12 9 12 1 13 10 11 3 14 12 17 ar 15 12 13 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 16 18 1 21 18 19 1 22 19 24 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 25 26 1 29 25 30 1 30 26 27 1 31 26 28 1 32 26 29 1 33 1 31 1 34 1 32 1 35 1 33 1 36 3 34 1 37 3 35 1 38 3 36 1 39 4 37 1 40 5 38 1 41 9 39 1 42 13 40 1 43 14 41 1 44 15 42 1 45 17 43 1 46 20 44 1 47 21 45 1 48 22 46 1 49 23 47 1 50 24 48 1 51 25 49 1