@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439054 28 29 1 SMALL USER_CHARGES @ATOM 1 Cl1 5.4713 -7.2407 2.0272 Cl 1 noname -0.0722 2 C1 6.7693 -7.8487 1.1132 C.2 1 noname 0.0285 3 C2 7.3463 -9.1287 1.3303 C.2 1 noname 0.0107 4 C3 7.2663 -7.0206 0.0872 C.2 1 noname -0.0256 5 C4 8.4213 -9.5586 0.5073 C.2 1 noname -0.0029 6 C5 6.8712 -9.9797 2.3494 C.2 1 noname 0.0926 7 C6 8.3263 -7.4496 -0.7217 C.2 1 noname -0.0331 8 C7 8.9003 -8.7116 -0.5116 C.2 1 noname -0.0519 9 C8 9.0663 -10.8766 0.6894 C.3 1 noname 0.0093 10 O1 6.3112 -11.0467 2.0114 O.2 1 noname -0.2756 11 N1 7.0472 -9.6016 3.6445 N.3 1 noname -0.1358 12 C9 6.6742 -10.2386 4.7915 C.2 1 noname -0.0021 13 C10 6.0021 -11.4796 4.8656 C.2 1 noname -0.0020 14 C11 6.9972 -9.5756 5.9916 C.2 1 noname -0.0020 15 C12 5.6741 -12.0166 6.1207 C.2 1 noname 0.0044 16 C13 6.6471 -10.1505 7.2237 C.2 1 noname 0.0044 17 N2 6.0020 -11.3416 7.2497 N.2 1 noname -0.2555 18 H1 6.8583 -6.0996 -0.0806 H 1 noname 0.0638 19 H2 8.6803 -6.8455 -1.4636 H 1 noname 0.0623 20 H3 9.6722 -9.0125 -1.1076 H 1 noname 0.0625 21 H4 9.8833 -11.0246 -0.0195 H 1 noname 0.0280 22 H5 9.4712 -10.9506 1.6994 H 1 noname 0.0280 23 H6 8.3332 -11.6696 0.5384 H 1 noname 0.0280 24 H7 7.4992 -8.7516 3.7675 H 1 noname 0.1374 25 H8 5.7481 -11.9986 4.0286 H 1 noname 0.0655 26 H9 7.4821 -8.6775 5.9737 H 1 noname 0.0655 27 H10 5.1880 -12.9116 6.1847 H 1 noname 0.0839 28 H11 6.8761 -9.6735 8.0968 H 1 noname 0.0839 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 18 1 8 5 8 2 9 5 9 1 10 6 10 2 11 6 11 1 12 7 8 1 13 7 19 1 14 8 20 1 15 9 21 1 16 9 22 1 17 9 23 1 18 11 12 1 19 11 24 1 20 12 13 2 21 12 14 1 22 13 15 1 23 13 25 1 24 14 16 2 25 14 26 1 26 15 17 2 27 15 27 1 28 16 17 1 29 16 28 1 @SUBSTRUCTURE 1 noname 1