@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444549 27 29 1 SMALL USER_CHARGES @ATOM 1 F1 11.3359 -11.3359 0.4343 F 1 noname -0.1626 2 C1 12.1688 -11.2938 1.4373 C.2 1 noname 0.0359 3 C2 12.5088 -10.0697 2.0574 C.2 1 noname 0.0149 4 C3 12.7258 -12.5038 1.8924 C.2 1 noname 0.0345 5 C4 13.4188 -10.0867 3.1354 C.2 1 noname -0.0301 6 C5 11.9337 -8.7777 1.6004 C.3 1 noname 0.0013 7 C6 13.6297 -12.5097 2.9724 C.2 1 noname 0.0013 8 C7 13.9757 -11.2937 3.5925 C.2 1 noname -0.0195 9 N1 12.9237 -7.8326 1.2504 N.3 1 noname -0.0428 10 C8 11.1517 -8.0106 2.7115 C.3 1 noname -0.0245 11 C9 14.1407 -13.6287 3.3935 C.1 1 noname 0.0616 12 C10 12.9027 -6.7186 1.9475 C.2 1 noname -0.0654 13 C11 13.9137 -7.7536 0.3485 C.2 1 noname -0.0574 14 C12 11.8666 -6.6586 2.9595 C.3 1 noname 0.0259 15 N2 14.5907 -14.6166 3.7655 N.1 1 noname -0.1838 16 C13 13.9196 -5.8995 1.4895 C.2 1 noname 0.0036 17 N3 14.5367 -6.5635 0.4915 N.2 1 noname -0.2452 18 H1 12.4647 -13.3787 1.4314 H 1 noname 0.0667 19 H2 13.6787 -9.2127 3.5944 H 1 noname 0.0627 20 H3 11.2737 -8.9176 0.7425 H 1 noname 0.0561 21 H4 14.6307 -11.2726 4.3775 H 1 noname 0.0636 22 H5 11.1016 -8.5776 3.6435 H 1 noname 0.0293 23 H6 10.1346 -7.8196 2.3645 H 1 noname 0.0293 24 H7 14.1577 -8.4745 -0.3314 H 1 noname 0.1015 25 H8 12.3026 -6.6156 3.9586 H 1 noname 0.0330 26 H9 11.1956 -5.8176 2.7866 H 1 noname 0.0330 27 H10 14.1546 -4.9695 1.8375 H 1 noname 0.0856 @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 19 1 10 6 9 1 11 6 10 1 12 6 20 1 13 7 11 1 14 7 8 1 15 8 21 1 16 9 12 1 17 9 13 1 18 10 14 1 19 10 22 1 20 10 23 1 21 11 15 3 22 12 16 2 23 12 14 1 24 13 17 2 25 13 24 1 26 14 25 1 27 14 26 1 28 16 17 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1