@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446455 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 7.8237 -15.7784 3.2981 F 1 noname -0.1691 2 C1 8.6517 -15.0734 2.4611 C.3 1 noname 0.4058 3 F2 7.8867 -14.1673 1.7681 F 1 noname -0.1691 4 F3 9.2227 -15.9543 1.5761 F 1 noname -0.1691 5 C2 9.7357 -14.3673 3.2972 C.3 1 noname 0.0254 6 N1 10.6807 -13.6872 2.4802 N.3 1 noname -0.0214 7 N2 10.3887 -12.6822 1.7142 N.2 1 noname -0.2905 8 C3 11.9917 -13.9732 2.3932 C.2 1 noname -0.0654 9 C4 11.5076 -12.2781 1.0903 C.2 1 noname 0.0337 10 C5 12.5637 -13.0811 1.4972 C.2 1 noname 0.0189 11 C6 13.9037 -12.9961 1.0833 C.2 1 noname -0.0901 12 N3 14.3847 -12.0921 0.2053 N.3 1 noname -0.0275 13 C7 14.9596 -13.8161 1.4904 C.2 1 noname -0.0218 14 C8 15.6997 -12.2930 0.0284 C.2 1 noname 0.0286 15 C9 16.0876 -13.3660 0.8204 C.2 1 noname -0.0586 16 C10 16.6206 -11.6140 -0.7815 C.2 1 noname -0.0213 17 C11 17.4216 -13.7930 0.8204 C.2 1 noname 0.0020 18 C12 17.9576 -12.0599 -0.7645 C.2 1 noname 0.0268 19 N4 18.2976 -13.1219 0.0255 N.2 1 noname -0.2872 20 N5 18.8556 -11.4229 -1.5584 N.3 1 noname 0.0101 21 C13 20.1716 -11.7288 -1.6984 C.2 1 noname -0.0039 22 C14 20.7235 -11.7158 -2.9983 C.2 1 noname -0.0029 23 C15 21.0135 -11.9978 -0.5973 C.2 1 noname -0.0495 24 O1 19.9595 -11.4327 -4.0873 O.3 1 noname -0.2742 25 C16 22.0925 -11.9797 -3.1883 C.2 1 noname -0.0331 26 C17 22.3785 -12.2687 -0.7913 C.2 1 noname -0.0737 27 C18 19.0674 -12.4387 -4.5713 C.3 1 noname 0.0424 28 C19 22.9175 -12.2617 -2.0883 C.2 1 noname -0.0741 29 H1 9.2617 -13.6432 3.9622 H 1 noname 0.0584 30 H2 10.2407 -15.1153 3.9132 H 1 noname 0.0584 31 H3 12.4757 -14.7182 2.8963 H 1 noname 0.0816 32 H4 11.5656 -11.5050 0.4263 H 1 noname 0.0863 33 H5 13.8606 -11.4040 -0.2326 H 1 noname 0.1528 34 H6 14.9146 -14.5951 2.1494 H 1 noname 0.0650 35 H7 16.3286 -10.8289 -1.3635 H 1 noname 0.0676 36 H8 17.7276 -14.5810 1.3935 H 1 noname 0.0847 37 H9 18.5136 -10.7188 -2.1314 H 1 noname 0.1358 38 H10 20.6365 -11.9888 0.3516 H 1 noname 0.0640 39 H11 22.4865 -11.9677 -4.1293 H 1 noname 0.0650 40 H12 22.9785 -12.4657 0.0097 H 1 noname 0.0623 41 H13 18.5544 -12.0587 -5.4543 H 1 noname 0.0535 42 H14 19.6244 -13.3357 -4.8463 H 1 noname 0.0535 43 H15 18.3234 -12.6927 -3.8152 H 1 noname 0.0535 44 H16 23.9095 -12.4547 -2.2302 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 29 1 7 5 30 1 8 6 7 1 9 6 8 1 10 7 9 2 11 8 10 2 12 8 31 1 13 9 10 1 14 9 32 1 15 10 11 1 16 11 12 1 17 11 13 2 18 12 14 1 19 12 33 1 20 13 15 1 21 13 34 1 22 14 16 1 23 14 15 2 24 15 17 1 25 16 18 2 26 16 35 1 27 17 19 2 28 17 36 1 29 18 20 1 30 18 19 1 31 20 21 1 32 20 37 1 33 21 22 2 34 21 23 1 35 22 24 1 36 22 25 1 37 23 26 2 38 23 38 1 39 24 27 1 40 25 28 2 41 25 39 1 42 26 28 1 43 26 40 1 44 27 41 1 45 27 42 1 46 27 43 1 47 28 44 1 @SUBSTRUCTURE 1 noname 1