@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3577 31 34 1 SMALL USER_CHARGES @ATOM 1 Br1 6.5913 -0.0876 5.7987 Br 1 noname -0.0507 2 C1 5.8863 1.2122 4.6688 C.2 1 noname -0.0249 3 C2 4.6513 0.9973 4.0279 C.2 1 noname -0.0323 4 C3 6.5832 2.4162 4.4549 C.2 1 noname -0.0569 5 C4 4.1133 1.9733 3.1610 C.2 1 noname -0.0232 6 C5 6.0442 3.3992 3.6089 C.2 1 noname -0.0547 7 N1 2.9153 1.8323 2.5370 N.3 1 noname 0.0090 8 C6 4.8132 3.1803 2.9690 C.2 1 noname -0.0551 9 C7 2.4423 0.7164 1.9161 C.2 1 noname 0.0626 10 N2 3.1892 -0.4164 1.8531 N.2 1 noname -0.2291 11 C8 1.1673 0.7234 1.3102 C.2 1 noname 0.0221 12 C9 2.7622 -1.5453 1.2412 C.2 1 noname 0.0561 13 C10 0.7363 -0.4724 0.6742 C.2 1 noname 0.0704 14 C11 0.2913 1.8274 1.2932 C.2 1 noname 0.0335 15 N3 1.5422 -1.5603 0.6603 N.2 1 noname -0.2398 16 C12 -0.5286 -0.5434 0.0493 C.2 1 noname 0.0060 17 N4 0.4273 3.0634 1.8043 N.2 1 noname -0.2247 18 C13 -0.9536 1.7455 0.6753 C.2 1 noname -0.0520 19 C14 -1.3886 0.5715 0.0454 C.2 1 noname -0.0111 20 C15 -0.7096 3.7224 1.5043 C.2 1 noname -0.0447 21 N5 -1.5516 2.9304 0.8203 N.3 1 noname -0.0410 22 H1 4.1363 0.1324 4.1939 H 1 noname 0.0651 23 H2 7.4791 2.5862 4.9149 H 1 noname 0.0634 24 H3 6.5471 4.2752 3.4600 H 1 noname 0.0623 25 H4 2.3563 2.6243 2.4941 H 1 noname 0.1357 26 H5 4.4282 3.9023 2.3591 H 1 noname 0.0639 27 H6 3.3541 -2.3752 1.2192 H 1 noname 0.1062 28 H7 -0.8237 -1.4093 -0.4035 H 1 noname 0.0646 29 H8 -2.3036 0.5246 -0.4045 H 1 noname 0.0643 30 H9 -0.9037 4.6904 1.7623 H 1 noname 0.1013 31 H10 -2.4306 3.1745 0.4924 H 1 noname 0.1537 @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 2 29 18 21 1 30 18 19 2 31 19 29 1 32 20 21 1 33 20 30 1 34 21 31 1 @SUBSTRUCTURE 1 noname 1