@MOLECULE FDBD02300 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3034 -0.2770 -0.2220 C.3 1 UNK -0.0587 2 C1 -0.0715 -1.2875 -1.3471 C.3 1 UNK -0.0170 3 C2 -0.7047 -2.6646 -1.1381 C.3 1 UNK -0.0587 4 C3 -0.0062 -0.7493 -2.7778 C.3 1 UNK -0.0057 5 C4 1.2689 -1.2307 -2.0826 C.3 1 UNK 0.0663 6 C5 2.2597 -0.1835 -1.6434 C.2 1 UNK 0.3126 7 O 2.0013 0.9886 -1.7822 O.2 1 UNK -0.2505 8 O1 3.4293 -0.5530 -1.0980 O.3 1 UNK -0.4412 9 C6 4.3350 0.5092 -0.6983 C.3 1 UNK 0.2129 10 C7 4.0601 0.8892 0.6969 C.1 1 UNK 0.1123 11 N 3.8480 1.1826 1.7737 N.1 1 UNK -0.1923 12 C8 5.7579 0.0271 -0.8166 C.ar 1 UNK 0.0103 13 C9 6.0652 -1.2929 -0.5414 C.ar 1 UNK -0.0538 14 C10 7.3695 -1.7385 -0.6494 C.ar 1 UNK -0.0579 15 C11 8.3695 -0.8655 -1.0324 C.ar 1 UNK -0.0193 16 C12 8.0639 0.4591 -1.3091 C.ar 1 UNK 0.1288 17 C13 6.7529 0.9025 -1.2054 C.ar 1 UNK -0.0116 18 O2 9.0456 1.3197 -1.6860 O.3 1 UNK -0.4560 19 C14 8.7001 2.6084 -1.9435 C.ar 1 UNK 0.1284 20 C15 8.7011 3.5460 -0.9206 C.ar 1 UNK -0.0193 21 C16 8.3493 4.8554 -1.1851 C.ar 1 UNK -0.0583 22 C17 7.9960 5.2320 -2.4677 C.ar 1 UNK -0.0615 23 C18 7.9937 4.2996 -3.4888 C.ar 1 UNK -0.0583 24 C19 8.3511 2.9904 -3.2310 C.ar 1 UNK -0.0193 25 C20 -0.5794 -1.6292 -3.8905 C.3 1 UNK 0.0616 26 C21 -0.4197 -0.9186 -5.2360 C.3 1 UNK 0.1846 27 Br -1.1563 -2.0492 -6.6657 Br 1 UNK -0.0485 28 Cl -1.3051 0.6516 -5.1951 Cl 1 UNK -0.0872 29 Cl1 1.3293 -0.6143 -5.5511 Cl 1 UNK -0.0872 30 Br1 0.3860 -3.3413 -3.9350 Br 1 UNK -0.0838 31 H -0.3264 -0.7884 0.7176 H 1 UNK 0.0235 32 H1 -1.2361 0.2234 -0.3786 H 1 UNK 0.0235 33 H2 0.4901 0.4408 -0.2181 H 1 UNK 0.0235 34 H3 -0.6834 -2.9128 -0.0975 H 1 UNK 0.0235 35 H4 -0.1550 -3.3975 -1.6909 H 1 UNK 0.0235 36 H5 -1.7185 -2.6466 -1.4798 H 1 UNK 0.0235 37 H6 -0.3096 0.1560 -3.2607 H 1 UNK 0.0326 38 H7 2.0360 -1.9397 -2.3143 H 1 UNK 0.0422 39 H8 4.1920 1.3580 -1.3340 H 1 UNK 0.0948 40 H9 5.3196 -1.9464 -0.2549 H 1 UNK 0.0622 41 H10 7.5963 -2.7240 -0.4438 H 1 UNK 0.0619 42 H11 9.3430 -1.1985 -1.1126 H 1 UNK 0.0654 43 H12 6.5217 1.8854 -1.4186 H 1 UNK 0.0658 44 H13 8.9644 3.2653 0.0370 H 1 UNK 0.0654 45 H14 8.3502 5.5531 -0.4247 H 1 UNK 0.0619 46 H15 7.7335 6.2107 -2.6633 H 1 UNK 0.0618 47 H16 7.7248 4.5820 -4.4443 H 1 UNK 0.0619 48 H17 8.3585 2.2970 -3.9953 H 1 UNK 0.0654 49 H18 -1.6173 -1.8097 -3.7035 H 1 UNK 0.0459 @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