@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439053 28 29 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.7509 -7.6620 2.2855 Cl 1 noname -0.0710 2 C1 6.0639 -7.8030 1.2145 C.2 1 noname 0.0389 3 C2 7.0299 -8.8420 1.2906 C.2 1 noname 0.0525 4 C3 6.1689 -6.8219 0.2125 C.2 1 noname -0.0124 5 C4 8.1059 -8.8919 0.3536 C.2 1 noname 0.0421 6 C5 6.9279 -9.8150 2.3026 C.2 1 noname 0.1025 7 C6 7.2209 -6.8629 -0.7104 C.2 1 noname -0.0237 8 C7 8.1749 -7.8849 -0.6373 C.2 1 noname -0.0109 9 C8 9.1539 -9.9609 0.3936 C.3 1 noname 0.4169 10 O1 6.3578 -10.8939 2.0257 O.2 1 noname -0.2742 11 N1 7.4458 -9.5209 3.5247 N.3 1 noname -0.1350 12 F1 10.1349 -9.8439 -0.5662 F 1 noname -0.1661 13 F2 9.8109 -9.9479 1.6007 F 1 noname -0.1661 14 F3 8.5918 -11.1999 0.2037 F 1 noname -0.1661 15 C9 7.4848 -10.2849 4.6538 C.2 1 noname -0.0021 16 C10 6.9837 -11.5999 4.7778 C.2 1 noname -0.0020 17 C11 8.0877 -9.6848 5.7759 C.2 1 noname -0.0020 18 C12 7.0967 -12.2708 6.0059 C.2 1 noname 0.0044 19 C13 8.1767 -10.3938 6.9839 C.2 1 noname 0.0044 20 N2 7.6827 -11.6528 7.0599 N.2 1 noname -0.2555 21 H1 5.4828 -6.0679 0.1456 H 1 noname 0.0638 22 H2 7.2928 -6.1468 -1.4344 H 1 noname 0.0623 23 H3 8.9298 -7.8878 -1.3233 H 1 noname 0.0629 24 H4 7.8458 -8.6408 3.6018 H 1 noname 0.1374 25 H5 6.5417 -12.0788 3.9958 H 1 noname 0.0655 26 H6 8.4607 -8.7357 5.7189 H 1 noname 0.0655 27 H7 6.7386 -13.2208 6.1059 H 1 noname 0.0839 28 H8 8.6117 -9.9637 7.8010 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 21 1 8 5 8 2 9 5 9 1 10 6 10 2 11 6 11 1 12 7 8 1 13 7 22 1 14 8 23 1 15 9 12 1 16 9 13 1 17 9 14 1 18 11 15 1 19 11 24 1 20 15 16 2 21 15 17 1 22 16 18 1 23 16 25 1 24 17 19 2 25 17 26 1 26 18 20 2 27 18 27 1 28 19 20 1 29 19 28 1 @SUBSTRUCTURE 1 noname 1