@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3590 27 29 1 SMALL USER_CHARGES @ATOM 1 Br1 -4.2360 9.1051 6.2702 Br 1 noname -0.0507 2 C1 -3.2001 8.0932 5.1002 C.2 1 noname -0.0249 3 C2 -3.8041 7.1192 4.2823 C.2 1 noname -0.0323 4 C3 -1.8091 8.2962 5.0323 C.2 1 noname -0.0569 5 C4 -3.0272 6.3533 3.3864 C.2 1 noname -0.0232 6 C5 -1.0282 7.5253 4.1563 C.2 1 noname -0.0547 7 N1 -3.5492 5.3814 2.5925 N.3 1 noname 0.0088 8 C6 -1.6352 6.5553 3.3414 C.2 1 noname -0.0551 9 C7 -4.7022 5.4474 1.8695 C.2 1 noname 0.0655 10 N2 -5.4713 6.5665 1.8766 N.2 1 noname -0.2170 11 C8 -5.1083 4.3495 1.0816 C.2 1 noname 0.0338 12 C9 -6.6173 6.6735 1.1656 C.2 1 noname 0.0593 13 C10 -6.3113 4.4806 0.3446 C.2 1 noname 0.0306 14 C11 -4.3973 3.1376 0.9806 C.2 1 noname 0.0313 15 N3 -7.0243 5.6296 0.4087 N.2 1 noname -0.2360 16 C12 -6.7713 3.4256 -0.4592 C.2 1 noname 0.0207 17 N4 -4.8713 2.1396 0.1927 N.2 1 noname -0.2433 18 C13 -6.0194 2.2437 -0.5212 C.2 1 noname 0.0129 19 H1 -4.8111 6.9603 4.3414 H 1 noname 0.0651 20 H2 -1.3572 8.9992 5.6203 H 1 noname 0.0634 21 H3 -0.0193 7.6693 4.1123 H 1 noname 0.0623 22 H4 -3.0203 4.5754 2.4995 H 1 noname 0.1357 23 H5 -1.0573 5.9984 2.7095 H 1 noname 0.0639 24 H6 -7.1673 7.5316 1.1996 H 1 noname 0.1062 25 H7 -3.5263 2.9956 1.4927 H 1 noname 0.0847 26 H8 -7.6373 3.5147 -0.9912 H 1 noname 0.0661 27 H9 -6.3334 1.4647 -1.1001 H 1 noname 0.0839 @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 18 27 1 @SUBSTRUCTURE 1 noname 1