@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3324 29 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 6.9220 4.4648 -1.3117 Cl 1 noname -0.0837 2 C1 5.7319 4.6558 -0.1247 C.2 1 noname -0.0144 3 C2 4.5449 3.8998 -0.1856 C.2 1 noname -0.0244 4 C3 5.9209 5.5759 0.9233 C.2 1 noname -0.0489 5 C4 3.5488 4.0468 0.8054 C.2 1 noname -0.0211 6 C5 4.9258 5.7399 1.9024 C.2 1 noname -0.0527 7 N1 2.3738 3.3659 0.7834 N.3 1 noname 0.0086 8 C6 3.7448 4.9829 1.8384 C.2 1 noname -0.0539 9 C7 2.2007 2.0429 0.5045 C.2 1 noname 0.0583 10 N2 3.2617 1.2419 0.2235 N.2 1 noname -0.2177 11 C8 0.9087 1.4769 0.5195 C.2 1 noname 0.0028 12 C9 3.1317 -0.0749 -0.0523 C.2 1 noname 0.0594 13 C10 0.7936 0.0970 0.2265 C.2 1 noname 0.0249 14 C11 -0.2703 2.1960 0.8026 C.2 1 noname 0.0256 15 N3 1.9006 -0.6329 -0.0483 N.2 1 noname -0.2357 16 C12 -0.4633 -0.5279 0.2196 C.2 1 noname 0.0085 17 N4 -1.4683 1.5600 0.7886 N.2 1 noname -0.2577 18 C13 -1.6014 0.2401 0.5107 C.2 1 noname 0.0377 19 N5 -2.8204 -0.3128 0.5167 N.3 1 noname -0.1172 20 H1 4.3998 3.2439 -0.9536 H 1 noname 0.0655 21 H2 6.7758 6.1319 0.9794 H 1 noname 0.0638 22 H3 5.0608 6.4119 2.6584 H 1 noname 0.0623 23 H4 1.5827 3.8669 1.0325 H 1 noname 0.1357 24 H5 3.0267 5.1130 2.5535 H 1 noname 0.0639 25 H6 3.9546 -0.6419 -0.2603 H 1 noname 0.1062 26 H7 -0.2373 3.1920 1.0196 H 1 noname 0.0848 27 H8 -0.5474 -1.5228 0.0086 H 1 noname 0.0679 28 H9 -2.9295 -1.2558 0.3187 H 1 noname 0.1257 29 H10 -3.5955 0.2331 0.7197 H 1 noname 0.1257 @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 30 19 28 1 31 19 29 1 @SUBSTRUCTURE 1 noname 1