@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446454 41 44 1 SMALL USER_CHARGES @ATOM 1 F1 3.2019 -7.2797 0.9511 F 1 noname -0.1860 2 C1 2.9709 -8.6117 0.6932 C.3 1 noname 0.3258 3 F2 2.2578 -8.6987 -0.4767 F 1 noname -0.1860 4 N1 4.1599 -9.3967 0.5942 N.3 1 noname 0.0022 5 N2 4.1458 -10.6867 0.4332 N.2 1 noname -0.2755 6 C2 5.4339 -8.9607 0.6552 C.2 1 noname -0.0505 7 C3 5.4108 -11.1347 0.3793 C.2 1 noname 0.0374 8 C4 6.2729 -10.0557 0.5183 C.2 1 noname 0.0231 9 C5 7.6779 -10.0536 0.5203 C.2 1 noname -0.0900 10 N3 8.4479 -8.9565 0.6724 N.3 1 noname -0.0273 11 C6 8.5169 -11.1596 0.3684 C.2 1 noname -0.0216 12 C7 9.7419 -9.3055 0.6245 C.2 1 noname 0.0288 13 C8 9.8169 -10.6796 0.4334 C.2 1 noname -0.0586 14 C9 10.8989 -8.5204 0.7335 C.2 1 noname -0.0213 15 C10 11.0629 -11.3116 0.3445 C.2 1 noname 0.0021 16 C11 12.1429 -9.1774 0.6396 C.2 1 noname 0.0268 17 N4 12.1730 -10.5325 0.4535 N.2 1 noname -0.2872 18 N5 13.2770 -8.4403 0.7456 N.3 1 noname 0.0101 19 C12 14.5330 -8.9452 0.6746 C.2 1 noname -0.0039 20 C13 15.0369 -9.5232 -0.5123 C.2 1 noname -0.0029 21 C14 15.3519 -8.8522 1.8167 C.2 1 noname -0.0495 22 O1 14.2159 -9.5592 -1.6063 O.3 1 noname -0.2742 23 C15 16.3570 -10.0262 -0.5263 C.2 1 noname -0.0331 24 C16 16.6630 -9.3541 1.7908 C.2 1 noname -0.0737 25 C17 14.5888 -10.1822 -2.8373 C.3 1 noname 0.0424 26 C18 17.1650 -9.9432 0.6197 C.2 1 noname -0.0741 27 H1 2.3588 -9.0107 1.5033 H 1 noname 0.1288 28 H2 5.7299 -7.9916 0.7773 H 1 noname 0.0818 29 H3 5.6858 -12.1097 0.2553 H 1 noname 0.0863 30 H4 8.1169 -8.0535 0.7974 H 1 noname 0.1528 31 H5 8.2349 -12.1316 0.2344 H 1 noname 0.0650 32 H6 10.8389 -7.5123 0.8736 H 1 noname 0.0676 33 H7 11.1399 -12.3195 0.2045 H 1 noname 0.0847 34 H8 13.1839 -7.4922 0.9217 H 1 noname 0.1358 35 H9 14.9919 -8.4251 2.6708 H 1 noname 0.0640 36 H10 16.7359 -10.4502 -1.3723 H 1 noname 0.0650 37 H11 17.2500 -9.2911 2.6229 H 1 noname 0.0623 38 H12 13.7618 -10.0901 -3.5413 H 1 noname 0.0535 39 H13 15.4668 -9.6921 -3.2593 H 1 noname 0.0535 40 H14 14.7988 -11.2402 -2.6762 H 1 noname 0.0535 41 H15 18.1170 -10.3091 0.5998 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 27 1 5 4 5 1 6 4 6 1 7 5 7 2 8 6 8 2 9 6 28 1 10 7 8 1 11 7 29 1 12 8 9 1 13 9 10 1 14 9 11 2 15 10 12 1 16 10 30 1 17 11 13 1 18 11 31 1 19 12 14 1 20 12 13 2 21 13 15 1 22 14 16 2 23 14 32 1 24 15 17 2 25 15 33 1 26 16 18 1 27 16 17 1 28 18 19 1 29 18 34 1 30 19 20 2 31 19 21 1 32 20 22 1 33 20 23 1 34 21 24 2 35 21 35 1 36 22 25 1 37 23 26 2 38 23 36 1 39 24 26 1 40 24 37 1 41 25 38 1 42 25 39 1 43 25 40 1 44 26 41 1 @SUBSTRUCTURE 1 noname 1