@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3264 28 30 1 SMALL USER_CHARGES @ATOM 1 Br1 -3.3653 8.7840 6.2942 Br 1 noname -0.0507 2 C1 -2.3214 7.8121 5.0993 C.2 1 noname -0.0249 3 C2 -2.9124 6.8301 4.2813 C.2 1 noname -0.0324 4 C3 -0.9374 8.0511 5.0123 C.2 1 noname -0.0570 5 C4 -2.1304 6.0911 3.3664 C.2 1 noname -0.0232 6 C5 -0.1504 7.3081 4.1164 C.2 1 noname -0.0547 7 N1 -2.6475 5.1142 2.5774 N.3 1 noname 0.0059 8 C6 -0.7445 6.3282 3.3024 C.2 1 noname -0.0552 9 C7 -3.7985 5.1792 1.8505 C.2 1 noname 0.0452 10 N2 -4.5495 6.3113 1.8405 N.2 1 noname -0.2334 11 C8 -4.2215 4.0713 1.0835 C.2 1 noname -0.0070 12 C9 -5.6946 6.4253 1.1306 C.2 1 noname 0.0494 13 C10 -5.4255 4.2153 0.3486 C.2 1 noname 0.0518 14 C11 -3.5166 2.8493 1.0196 C.2 1 noname -0.0209 15 N3 -6.1206 5.3763 0.3927 N.2 1 noname -0.2441 16 C12 -5.9086 3.1514 -0.4333 C.2 1 noname -0.0084 17 C13 -4.0056 1.7904 0.2356 C.2 1 noname -0.0521 18 C14 -5.1996 1.9394 -0.4892 C.2 1 noname -0.0368 19 H1 -3.9144 6.6451 4.3514 H 1 noname 0.0651 20 H2 -0.4954 8.7601 5.5994 H 1 noname 0.0634 21 H3 0.8534 7.4792 4.0584 H 1 noname 0.0623 22 H4 -2.1225 4.3032 2.4954 H 1 noname 0.1357 23 H5 -0.1625 5.7913 2.6585 H 1 noname 0.0639 24 H6 -6.2296 7.2934 1.1507 H 1 noname 0.1062 25 H7 -2.6486 2.7203 1.5396 H 1 noname 0.0630 26 H8 -6.7766 3.2554 -0.9612 H 1 noname 0.0645 27 H9 -3.4927 0.9094 0.1937 H 1 noname 0.0622 28 H10 -5.5517 1.1685 -1.0572 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 20 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 21 1 12 7 9 1 13 7 22 1 14 8 23 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 24 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 25 1 26 16 18 1 27 16 26 1 28 17 18 2 29 17 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1