@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445509 29 31 1 SMALL USER_CHARGES @ATOM 1 F1 11.3690 -5.7173 -0.4389 F 1 noname -0.1546 2 C1 10.9609 -4.6073 0.1120 C.2 1 noname 0.0577 3 C2 11.5519 -4.1403 1.3030 C.2 1 noname 0.0831 4 C3 9.9269 -3.8743 -0.4939 C.2 1 noname 0.0164 5 O1 12.5478 -4.8692 1.8870 O.3 1 noname -0.2529 6 C4 11.0939 -2.9442 1.9061 C.2 1 noname 0.0228 7 C5 9.4769 -2.6793 0.0891 C.2 1 noname -0.0455 8 C6 13.4417 -4.2082 2.7881 C.3 1 noname 0.0677 9 C7 11.6718 -2.5232 3.0961 C.2 1 noname 0.1123 10 C8 10.0559 -2.2182 1.2831 C.2 1 noname -0.0152 11 C9 12.6767 -3.3102 3.7881 C.3 1 noname 0.0713 12 O2 11.3088 -1.4842 3.6321 O.2 1 noname -0.2911 13 C10 12.0947 -4.0811 4.9181 C.2 1 noname -0.0493 14 C11 11.1396 -5.1001 4.7061 C.2 1 noname -0.0536 15 C12 12.4976 -3.7991 6.2411 C.2 1 noname -0.0536 16 C13 10.6016 -5.8170 5.7881 C.2 1 noname -0.0596 17 C14 11.9606 -4.5131 7.3251 C.2 1 noname -0.0596 18 C15 11.0116 -5.5230 7.0991 C.2 1 noname -0.0614 19 H1 9.4989 -4.2082 -1.3588 H 1 noname 0.0654 20 H2 8.7269 -2.1462 -0.3528 H 1 noname 0.0623 21 H3 14.0387 -4.9511 3.3191 H 1 noname 0.0583 22 H4 14.1187 -3.5812 2.2041 H 1 noname 0.0583 23 H5 9.7128 -1.3512 1.7001 H 1 noname 0.0631 24 H6 13.4136 -2.6061 4.1821 H 1 noname 0.0461 25 H7 10.8316 -5.3260 3.7612 H 1 noname 0.0625 26 H8 13.1856 -3.0661 6.4191 H 1 noname 0.0625 27 H9 9.9126 -6.5509 5.6222 H 1 noname 0.0622 28 H10 12.2605 -4.2980 8.2771 H 1 noname 0.0622 29 H11 10.6205 -6.0419 7.8852 H 1 noname 0.0622 @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 19 1 8 5 8 1 9 6 9 1 10 6 10 2 11 7 10 1 12 7 20 1 13 8 11 1 14 8 21 1 15 8 22 1 16 9 12 2 17 9 11 1 18 10 23 1 19 11 13 1 20 11 24 1 21 13 14 2 22 13 15 1 23 14 16 1 24 14 25 1 25 15 17 2 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1