@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446988 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 5.8067 -10.5042 0.5190 F 1 noname -0.1490 2 C1 7.0717 -10.7492 0.7080 C.2 1 noname 0.0914 3 C2 8.0546 -10.1941 -0.1248 C.2 1 noname 0.0702 4 C3 7.5067 -11.5781 1.7521 C.2 1 noname 0.0702 5 N1 9.3635 -10.4671 0.0941 N.2 1 noname -0.1930 6 N2 8.8296 -11.8160 1.9261 N.2 1 noname -0.1930 7 C4 9.7665 -11.2710 1.1112 C.2 1 noname 0.0640 8 C5 11.1944 -11.5530 1.3252 C.3 1 noname 0.0715 9 N3 11.7113 -12.1959 0.1643 N.3 1 noname -0.0636 10 C6 11.9553 -10.2480 1.6322 C.3 1 noname -0.0420 11 C7 12.9173 -12.7949 0.1143 C.2 1 noname 0.0786 12 N4 13.7422 -12.8208 1.1853 N.2 1 noname -0.2538 13 N5 13.3102 -13.3998 -1.0265 N.2 1 noname -0.2632 14 C8 14.9572 -13.4228 1.1734 C.2 1 noname 0.0401 15 C9 14.5062 -14.0267 -1.1205 C.2 1 noname 0.0526 16 N6 15.7501 -13.4088 2.2784 N.3 1 noname 0.0376 17 C10 15.3861 -14.0628 -0.0094 C.2 1 noname -0.0576 18 C11 14.8672 -14.6447 -2.3304 C.2 1 noname 0.0267 19 C12 15.4551 -12.8198 3.4624 C.2 1 noname 0.0348 20 C13 16.6260 -14.7237 -0.1374 C.2 1 noname -0.0125 21 C14 16.1071 -15.3056 -2.4533 C.2 1 noname 0.0297 22 N7 14.3280 -12.1747 3.8124 N.2 1 noname -0.2137 23 C15 16.3160 -12.7897 4.5514 C.2 1 noname -0.1115 24 C16 16.9780 -15.3387 -1.3503 C.2 1 noname -0.0147 25 O1 16.5270 -15.9276 -3.5943 O.3 1 noname -0.2741 26 C17 14.4920 -11.7607 5.0795 C.2 1 noname -0.0438 27 N8 15.6980 -12.1287 5.5394 N.3 1 noname -0.0744 28 C18 15.7390 -15.9615 -4.7872 C.3 1 noname 0.0423 29 C19 16.2119 -11.8627 6.8365 C.3 1 noname -0.0673 30 H1 7.7876 -9.5831 -0.8977 H 1 noname 0.0872 31 H2 6.8286 -12.0060 2.3841 H 1 noname 0.0872 32 H3 11.2904 -12.2229 2.1822 H 1 noname 0.0550 33 H4 11.1543 -12.2319 -0.6286 H 1 noname 0.1320 34 H5 11.9193 -9.5799 0.7712 H 1 noname 0.0251 35 H6 12.9963 -10.4699 1.8662 H 1 noname 0.0251 36 H7 11.5063 -9.7499 2.4932 H 1 noname 0.0251 37 H8 16.6070 -13.8557 2.2154 H 1 noname 0.1373 38 H9 14.2231 -14.6137 -3.1203 H 1 noname 0.0673 39 H10 17.2780 -14.7637 0.6466 H 1 noname 0.0631 40 H11 17.2510 -13.1957 4.5895 H 1 noname 0.0825 41 H12 17.8779 -15.8146 -1.4303 H 1 noname 0.0650 42 H13 13.7960 -11.2397 5.6145 H 1 noname 0.1015 43 H14 16.2889 -16.5045 -5.5562 H 1 noname 0.0535 44 H15 14.7929 -16.4734 -4.6022 H 1 noname 0.0535 45 H16 15.5449 -14.9485 -5.1432 H 1 noname 0.0535 46 H17 15.5619 -12.3146 7.5875 H 1 noname 0.0436 47 H18 16.2519 -10.7846 7.0015 H 1 noname 0.0436 48 H19 17.2168 -12.2736 6.9475 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 30 1 6 4 6 2 7 4 31 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 32 1 14 9 11 1 15 9 33 1 16 10 34 1 17 10 35 1 18 10 36 1 19 11 12 1 20 11 13 2 21 12 14 2 22 13 15 1 23 14 16 1 24 14 17 1 25 15 18 2 26 15 17 1 27 16 19 1 28 16 37 1 29 17 20 2 30 18 21 1 31 18 38 1 32 19 22 1 33 19 23 2 34 20 24 1 35 20 39 1 36 21 25 1 37 21 24 2 38 22 26 2 39 23 27 1 40 23 40 1 41 24 41 1 42 25 28 1 43 26 27 1 44 26 42 1 45 27 29 1 46 28 43 1 47 28 44 1 48 28 45 1 49 29 46 1 50 29 47 1 51 29 48 1 @SUBSTRUCTURE 1 noname 1