@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3593 27 29 1 SMALL USER_CHARGES @ATOM 1 Br1 -4.0447 9.0724 6.2477 Br 1 noname -0.0507 2 C1 -3.0387 8.0734 5.0406 C.2 1 noname -0.0249 3 C2 -3.6577 7.0884 4.2476 C.2 1 noname -0.0323 4 C3 -1.6536 8.2965 4.9207 C.2 1 noname -0.0569 5 C4 -2.9047 6.3324 3.3236 C.2 1 noname -0.0232 6 C5 -0.8957 7.5355 4.0157 C.2 1 noname -0.0547 7 N1 -3.4508 5.3544 2.5547 N.3 1 noname 0.0087 8 C6 -1.5177 6.5545 3.2247 C.2 1 noname -0.0551 9 C7 -4.6109 5.4355 1.8457 C.2 1 noname 0.0634 10 N2 -5.3450 6.5795 1.8367 N.2 1 noname -0.2172 11 C8 -5.0649 4.3334 1.0907 C.2 1 noname 0.0294 12 C9 -6.4970 6.7066 1.1397 C.2 1 noname 0.0596 13 C10 -6.2730 4.4865 0.3677 C.2 1 noname 0.0444 14 C11 -4.3980 3.0944 1.0137 C.2 1 noname 0.0444 15 N3 -6.9471 5.6596 0.4137 N.2 1 noname -0.2333 16 C12 -6.7821 3.4285 -0.4012 C.2 1 noname 0.0721 17 N4 -4.9190 2.0934 0.2617 N.2 1 noname -0.1937 18 C13 -6.0731 2.2175 -0.4392 C.2 1 noname 0.0967 19 F1 -6.5162 1.2145 -1.1411 F 1 noname -0.1273 20 H1 -4.6598 6.9154 4.3427 H 1 noname 0.0651 21 H2 -1.1917 9.0065 5.4897 H 1 noname 0.0634 22 H3 0.1092 7.6945 3.9327 H 1 noname 0.0623 23 H4 -2.9398 4.5344 2.4717 H 1 noname 0.1357 24 H5 -0.9567 6.0055 2.5727 H 1 noname 0.0639 25 H6 -7.0181 7.5827 1.1617 H 1 noname 0.1062 26 H7 -3.5260 2.9355 1.5188 H 1 noname 0.0848 27 H8 -7.6522 3.5375 -0.9242 H 1 noname 0.0693 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 22 1 12 7 9 1 13 7 23 1 14 8 24 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 25 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 26 1 26 16 18 1 27 16 27 1 28 17 18 2 29 18 19 1 @SUBSTRUCTURE 1 noname 1