@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3584 32 35 1 SMALL USER_CHARGES @ATOM 1 Br1 8.2918 5.0223 2.3768 Br 1 noname -0.0507 2 C1 7.5588 3.5333 3.2198 C.2 1 noname -0.0249 3 C2 6.2677 3.0893 2.8739 C.2 1 noname -0.0323 4 C3 8.2887 2.8494 4.2099 C.2 1 noname -0.0569 5 C4 5.7067 1.9574 3.5029 C.2 1 noname -0.0232 6 C5 7.7287 1.7324 4.8520 C.2 1 noname -0.0547 7 N1 4.4566 1.5074 3.2210 N.3 1 noname 0.0084 8 C6 6.4406 1.2924 4.5030 C.2 1 noname -0.0551 9 C7 3.9295 1.3054 1.9820 C.2 1 noname 0.0566 10 N2 4.6875 1.5245 0.8750 N.2 1 noname -0.2301 11 C8 2.6014 0.8505 1.8211 C.2 1 noname -0.0098 12 C9 4.2284 1.3295 -0.3809 C.2 1 noname 0.0560 13 C10 2.1414 0.6535 0.4891 C.2 1 noname 0.0651 14 C11 1.6964 0.5825 2.8721 C.2 1 noname -0.0597 15 N3 2.9614 0.8965 -0.5598 N.2 1 noname -0.2408 16 C12 0.8273 0.2025 0.2341 C.2 1 noname -0.0003 17 N4 1.8304 0.6776 4.2072 N.3 1 noname -0.0706 18 C13 0.4003 0.1365 2.6061 C.2 1 noname -0.0299 19 C14 -0.0576 -0.0613 1.2961 C.2 1 noname -0.0170 20 C15 0.6813 0.3096 4.8023 C.2 1 noname -0.1107 21 C16 -0.2426 -0.0383 3.8222 C.2 1 noname -0.0386 22 H1 5.7297 3.5904 2.1649 H 1 noname 0.0651 23 H2 9.2257 3.1604 4.4710 H 1 noname 0.0634 24 H3 8.2576 1.2404 5.5730 H 1 noname 0.0623 25 H4 3.9065 1.2674 3.9781 H 1 noname 0.1357 26 H5 6.0416 0.4814 4.9781 H 1 noname 0.0639 27 H6 4.8324 1.5066 -1.1838 H 1 noname 0.1062 28 H7 0.5143 0.0656 -0.7278 H 1 noname 0.0645 29 H8 2.6254 0.9666 4.6772 H 1 noname 0.1522 30 H9 -1.0077 -0.3873 1.1132 H 1 noname 0.0630 31 H10 0.5133 0.2907 5.8083 H 1 noname 0.0789 32 H11 -1.2007 -0.3573 3.9712 H 1 noname 0.0642 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 22 1 6 4 6 2 7 4 23 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 24 1 12 7 9 1 13 7 25 1 14 8 26 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 27 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 18 1 26 16 19 1 27 16 28 1 28 17 20 1 29 17 29 1 30 18 21 1 31 18 19 2 32 19 30 1 33 20 21 2 34 20 31 1 35 21 32 1 @SUBSTRUCTURE 1 noname 1