@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442762 43 45 1 SMALL USER_CHARGES @ATOM 1 F1 25.2220 -23.7104 -3.6763 F 1 noname -0.1655 2 C1 25.5279 -24.4063 -2.6183 C.2 1 noname 0.0234 3 C2 25.8689 -23.7543 -1.4203 C.2 1 noname -0.0049 4 C3 25.5159 -25.8102 -2.6712 C.2 1 noname -0.0049 5 C4 26.1979 -24.5072 -0.2803 C.2 1 noname -0.0322 6 C5 25.8458 -26.5601 -1.5302 C.2 1 noname -0.0322 7 C6 26.1938 -25.9171 -0.3233 C.2 1 noname -0.0444 8 C7 26.5287 -26.6840 0.9056 C.3 1 noname 0.1007 9 O1 26.8487 -28.0619 0.6547 O.3 1 noname -0.2016 10 C8 25.3927 -26.5990 1.9656 C.3 1 noname 0.0328 11 C9 28.0106 -28.4088 0.1027 C.2 1 noname 0.1408 12 C10 24.0818 -27.1089 1.4787 C.2 1 noname -0.0516 13 C11 25.8097 -27.3249 3.2686 C.3 1 noname 0.0454 14 O2 28.8605 -27.5788 -0.1841 O.2 1 noname -0.2547 15 C12 28.2545 -29.7937 -0.1631 C.3 1 noname 0.0221 16 C13 22.9878 -26.2269 1.3457 C.2 1 noname -0.0551 17 C14 23.9027 -28.4658 1.1327 C.2 1 noname -0.0551 18 N1 26.9896 -26.7689 3.8316 N.3 1 noname 0.0217 19 C15 21.7468 -26.6878 0.8738 C.2 1 noname -0.0600 20 C16 22.6638 -28.9297 0.6608 C.2 1 noname -0.0600 21 N2 28.1205 -27.3928 3.9416 N.2 1 noname -0.2170 22 C17 27.1256 -25.5349 4.3336 C.2 1 noname -0.0261 23 C18 21.5848 -28.0397 0.5298 C.2 1 noname -0.0615 24 N3 29.0124 -26.6278 4.4936 N.2 1 noname -0.1615 25 C19 28.4364 -25.4478 4.7596 C.2 1 noname 0.0570 26 H1 25.8778 -22.7353 -1.3743 H 1 noname 0.0653 27 H2 25.2658 -26.2891 -3.5372 H 1 noname 0.0653 28 H3 26.4418 -24.0252 0.5856 H 1 noname 0.0627 29 H4 25.8228 -27.5790 -1.5792 H 1 noname 0.0627 30 H5 27.4157 -26.2230 1.3486 H 1 noname 0.0668 31 H6 25.2797 -25.5440 2.2266 H 1 noname 0.0399 32 H7 25.9896 -28.3798 3.0536 H 1 noname 0.0498 33 H8 25.0057 -27.2569 4.0025 H 1 noname 0.0498 34 H9 29.2384 -29.9246 -0.6160 H 1 noname 0.0336 35 H10 28.2115 -30.3526 0.7718 H 1 noname 0.0336 36 H11 27.4915 -30.1696 -0.8450 H 1 noname 0.0336 37 H12 23.0948 -25.2419 1.5887 H 1 noname 0.0625 38 H13 24.6776 -29.1237 1.2228 H 1 noname 0.0625 39 H14 20.9638 -26.0408 0.7798 H 1 noname 0.0622 40 H15 22.5467 -29.9126 0.4129 H 1 noname 0.0622 41 H16 26.4115 -24.8089 4.3896 H 1 noname 0.0826 42 H17 20.6848 -28.3746 0.1869 H 1 noname 0.0622 43 H18 28.8814 -24.6398 5.1937 H 1 noname 0.0873 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 26 1 6 4 6 2 7 4 27 1 8 5 7 2 9 5 28 1 10 6 7 1 11 6 29 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 30 1 16 9 11 1 17 10 12 1 18 10 13 1 19 10 31 1 20 11 14 2 21 11 15 1 22 12 16 2 23 12 17 1 24 13 18 1 25 13 32 1 26 13 33 1 27 15 34 1 28 15 35 1 29 15 36 1 30 16 19 1 31 16 37 1 32 17 20 2 33 17 38 1 34 18 21 1 35 18 22 1 36 19 23 2 37 19 39 1 38 20 23 1 39 20 40 1 40 21 24 2 41 22 25 2 42 22 41 1 43 23 42 1 44 24 25 1 45 25 43 1 @SUBSTRUCTURE 1 noname 1