@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446392 47 49 1 SMALL USER_CHARGES @ATOM 1 F1 9.3823 1.2241 -8.1512 F 1 noname -0.1435 2 C1 10.6093 1.4831 -7.5971 C.3 1 noname 0.5273 3 F2 10.6313 2.8082 -7.2331 F 1 noname -0.1435 4 F3 11.5613 1.2411 -8.5581 F 1 noname -0.1435 5 O1 10.7633 0.6161 -6.4640 O.3 1 noname -0.2117 6 C2 11.8513 0.5932 -5.6350 C.2 1 noname 0.0070 7 C3 12.9963 1.4002 -5.8059 C.2 1 noname -0.0129 8 C4 11.8002 -0.2927 -4.5439 C.2 1 noname -0.0129 9 C5 14.0663 1.3202 -4.8989 C.2 1 noname -0.0215 10 C6 12.8702 -0.3737 -3.6368 C.2 1 noname -0.0215 11 C7 14.0162 0.4232 -3.8118 C.2 1 noname -0.0256 12 N1 15.0012 0.3223 -2.8817 N.3 1 noname -0.1377 13 C8 16.3433 0.3613 -3.0996 C.2 1 noname 0.0440 14 O2 16.7872 0.4833 -4.2636 O.2 1 noname -0.2727 15 N2 17.2113 0.2593 -2.0405 N.3 1 noname -0.0436 16 C9 18.6393 0.3263 -2.2235 C.3 1 noname 0.0131 17 C10 16.7062 0.1354 -0.6974 C.3 1 noname 0.0344 18 C11 19.1803 -0.8066 -3.1135 C.3 1 noname -0.0493 19 C12 19.0853 1.6975 -2.7625 C.3 1 noname -0.0493 20 C13 16.1181 -1.1906 -0.4323 C.2 1 noname -0.0209 21 C14 14.8130 -1.4875 -0.0503 C.2 1 noname -0.0055 22 C15 16.7771 -2.4186 -0.5053 C.2 1 noname -0.1047 23 C16 14.7230 -2.8705 0.0837 C.2 1 noname 0.0575 24 C17 13.6869 -0.6854 0.1927 C.2 1 noname -0.0318 25 N3 15.9190 -3.4076 -0.1943 N.3 1 noname -0.0420 26 N4 13.5619 -3.4665 0.4457 N.2 1 noname -0.2568 27 C18 12.4848 -1.3174 0.5667 C.2 1 noname -0.0566 28 C19 12.4468 -2.7224 0.6888 C.2 1 noname -0.0080 29 H1 13.0572 2.0533 -6.5859 H 1 noname 0.0650 30 H2 10.9781 -0.8807 -4.4068 H 1 noname 0.0650 31 H3 14.8782 1.9243 -5.0318 H 1 noname 0.0640 32 H4 12.8122 -1.0207 -2.8477 H 1 noname 0.0640 33 H5 14.7162 0.1673 -1.9696 H 1 noname 0.1385 34 H6 19.1322 0.2064 -1.2574 H 1 noname 0.0467 35 H7 17.5052 0.2844 0.0286 H 1 noname 0.0487 36 H8 15.9681 0.9195 -0.5184 H 1 noname 0.0487 37 H9 18.8742 -0.6665 -4.1495 H 1 noname 0.0246 38 H10 18.8082 -1.7666 -2.7544 H 1 noname 0.0246 39 H11 20.2703 -0.8095 -3.0674 H 1 noname 0.0246 40 H12 18.7432 1.8395 -3.7875 H 1 noname 0.0246 41 H13 18.6762 2.4885 -2.1344 H 1 noname 0.0246 42 H14 20.1742 1.7565 -2.7444 H 1 noname 0.0246 43 H15 17.7581 -2.5465 -0.7543 H 1 noname 0.0793 44 H16 13.7329 0.3295 0.1007 H 1 noname 0.0630 45 H17 16.1300 -4.3536 -0.1732 H 1 noname 0.1537 46 H18 11.6477 -0.7634 0.7488 H 1 noname 0.0639 47 H19 11.5797 -3.1854 0.9608 H 1 noname 0.0839 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 7 9 1 9 7 29 1 10 8 10 2 11 8 30 1 12 9 11 2 13 9 31 1 14 10 11 1 15 10 32 1 16 11 12 1 17 12 13 1 18 12 33 1 19 13 14 2 20 13 15 1 21 15 16 1 22 15 17 1 23 16 18 1 24 16 19 1 25 16 34 1 26 17 20 1 27 17 35 1 28 17 36 1 29 18 37 1 30 18 38 1 31 18 39 1 32 19 40 1 33 19 41 1 34 19 42 1 35 20 21 1 36 20 22 2 37 21 23 2 38 21 24 1 39 22 25 1 40 22 43 1 41 23 26 1 42 23 25 1 43 24 27 2 44 24 44 1 45 25 45 1 46 26 28 2 47 27 28 1 48 27 46 1 49 28 47 1 @SUBSTRUCTURE 1 noname 1