@MOLECULE DB01838 32 34 1 SMALL USER_CHARGES @ATOM 1 Br1 6.6285 -0.0887 -1.6857 Br 1 noname -0.0479 2 C1 5.5288 1.1410 -0.8332 C.2 1 noname 0.0200 3 C2 6.0720 2.2986 -0.2882 C.2 1 noname 0.0570 4 C3 4.1623 0.9039 -0.7401 C.2 1 noname 0.0051 5 O1 7.3991 2.5289 -0.3787 O.3 1 noname -0.2719 6 C4 5.2488 3.2190 0.3499 C.2 1 noname 0.0200 7 C5 3.3391 1.8244 -0.1020 C.2 1 noname -0.0243 8 Br2 5.9746 4.7655 1.0780 Br 1 noname -0.0479 9 C6 3.8824 2.9819 0.4430 C.2 1 noname 0.0051 10 C7 1.9726 1.5872 -0.0088 C.2 1 noname 0.0111 11 O2 1.4966 0.2963 0.0478 O.3 1 noname -0.1987 12 C8 1.0644 2.6704 0.0283 C.2 1 noname 0.0756 13 C9 0.1547 -0.0121 0.1356 C.2 1 noname 0.0280 14 C10 -0.3194 2.3986 0.1209 C.2 1 noname 0.0930 15 C11 1.5482 4.0468 -0.0282 C.3 1 noname -0.0332 16 C12 -0.8065 1.0700 0.1755 C.2 1 noname 0.0268 17 C13 -0.2714 -1.3681 0.1799 C.2 1 noname -0.0019 18 O3 -1.1296 3.3499 0.1554 O.2 1 noname -0.2926 19 C14 -2.2042 0.8061 0.2574 C.2 1 noname 0.0183 20 C15 -1.6696 -1.6214 0.2819 C.2 1 noname -0.0042 21 C16 -2.6167 -0.5597 0.3210 C.2 1 noname 0.0039 22 O4 -3.9315 -0.8495 0.4201 O.3 1 noname -0.2866 23 H1 3.7363 -0.0038 -1.1674 H 1 noname 0.0642 24 H2 7.7735 2.5938 0.5029 H 1 noname 0.2182 25 H3 3.2368 3.7037 0.9434 H 1 noname 0.0642 26 H4 1.6818 4.4269 0.9846 H 1 noname 0.0282 27 H5 2.5016 4.0754 -0.5558 H 1 noname 0.0282 28 H6 0.8224 4.6657 -0.5558 H 1 noname 0.0282 29 H7 0.4489 -2.1851 0.1372 H 1 noname 0.0651 30 H8 -2.9308 1.6186 0.2709 H 1 noname 0.0658 31 H9 -2.0230 -2.6514 0.3311 H 1 noname 0.0650 32 H10 -4.1783 -0.9039 1.3462 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 6 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 10 12 2 13 11 13 1 14 12 14 1 15 12 15 1 16 13 16 2 17 13 17 1 18 14 18 2 19 14 16 1 20 16 19 1 21 17 20 2 22 19 21 2 23 20 21 1 24 21 22 1 25 4 23 1 26 5 24 1 27 9 25 1 28 15 26 1 29 15 27 1 30 15 28 1 31 17 29 1 32 19 30 1 33 20 31 1 34 22 32 1 @SUBSTRUCTURE 1 noname 1