@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4194 32 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.9530 1.6865 -3.9977 Cl 1 noname -0.0766 2 C1 3.3629 2.0396 -3.1166 C.2 1 noname 0.0158 3 C2 3.5529 1.6597 -1.7586 C.2 1 noname 0.0269 4 C3 4.3739 2.7456 -3.7966 C.2 1 noname -0.0208 5 C4 2.5399 0.9507 -1.0615 C.2 1 noname 0.0588 6 C5 4.7728 1.9987 -1.1106 C.2 1 noname 0.0158 7 C6 5.5708 3.0767 -3.1475 C.2 1 noname -0.0361 8 C7 2.4938 -0.4701 -1.0495 C.2 1 noname 0.1094 9 C8 1.5519 1.6607 -0.3625 C.2 1 noname 0.0081 10 Cl2 5.1148 1.5948 0.5053 Cl 1 noname -0.0766 11 C9 5.7687 2.7047 -1.8115 C.2 1 noname -0.0208 12 O1 3.3708 -1.1160 -1.6694 O.2 1 noname -0.2730 13 N1 1.4988 -1.1370 -0.3635 N.3 1 noname -0.1037 14 C10 0.5359 0.9768 0.3354 C.2 1 noname -0.0225 15 C11 0.5288 -0.4390 0.3225 C.2 1 noname 0.0419 16 C12 1.4488 -2.5699 -0.3484 C.3 1 noname 0.0012 17 C13 -0.4701 1.6599 1.0444 C.2 1 noname -0.0283 18 N2 -0.4551 -1.0919 0.9975 N.2 1 noname -0.2443 19 C14 -1.4651 0.9419 1.7265 C.2 1 noname -0.0381 20 C15 -1.4361 -0.4609 1.6866 C.2 1 noname 0.0268 21 N3 -2.3652 -1.1868 2.3206 N.3 1 noname -0.1188 22 H1 4.2488 3.0247 -4.7715 H 1 noname 0.0638 23 H2 6.2977 3.5877 -3.6485 H 1 noname 0.0623 24 H3 1.5678 2.6838 -0.3595 H 1 noname 0.0638 25 H4 6.6486 2.9538 -1.3555 H 1 noname 0.0638 26 H5 2.2537 -3.0249 -0.9264 H 1 noname 0.0404 27 H6 1.5257 -2.9269 0.6805 H 1 noname 0.0404 28 H7 0.4987 -2.9068 -0.7684 H 1 noname 0.0404 29 H8 -0.4861 2.6809 1.0685 H 1 noname 0.0631 30 H9 -2.1971 1.4349 2.2395 H 1 noname 0.0656 31 H10 -2.3282 -2.1548 2.2807 H 1 noname 0.1257 32 H11 -3.0722 -0.7478 2.8187 H 1 noname 0.1257 @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 22 1 8 5 8 1 9 5 9 2 10 6 10 1 11 6 11 2 12 7 11 1 13 7 23 1 14 8 12 2 15 8 13 1 16 9 14 1 17 9 24 1 18 11 25 1 19 13 15 1 20 13 16 1 21 14 17 1 22 14 15 2 23 15 18 1 24 16 26 1 25 16 27 1 26 16 28 1 27 17 19 2 28 17 29 1 29 18 20 2 30 19 20 1 31 19 30 1 32 20 21 1 33 21 31 1 34 21 32 1 @SUBSTRUCTURE 1 noname 1