@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440118 42 43 1 SMALL USER_CHARGES @ATOM 1 F1 10.4021 -21.6759 1.2198 F 1 noname -0.1661 2 C1 11.2631 -22.6228 1.7248 C.3 1 noname 0.4161 3 F2 10.6790 -23.8468 1.5069 F 1 noname -0.1661 4 F3 11.3350 -22.4148 3.0819 F 1 noname -0.1661 5 C2 12.6250 -22.5848 1.1289 C.2 1 noname -0.0115 6 C3 13.6009 -23.5127 1.5599 C.2 1 noname -0.0237 7 C4 12.9919 -21.6378 0.1459 C.2 1 noname -0.0483 8 C5 14.9079 -23.4947 1.0350 C.2 1 noname -0.0219 9 C6 14.2959 -21.6097 -0.3779 C.2 1 noname -0.0534 10 N1 15.8588 -24.3516 1.4790 N.3 1 noname 0.0130 11 C7 15.2538 -22.5317 0.0720 C.2 1 noname -0.0550 12 C8 15.8308 -25.7056 1.3410 C.2 1 noname 0.0767 13 N2 14.7948 -26.2785 0.6741 N.2 1 noname -0.2289 14 C9 16.8627 -26.5245 1.8661 C.2 1 noname 0.0089 15 C10 14.6927 -27.6125 0.4821 C.2 1 noname 0.0939 16 C11 17.9877 -26.0225 2.5721 C.2 1 noname 0.0224 17 C12 16.7177 -27.9115 1.6521 C.2 1 noname 0.0471 18 N3 15.6587 -28.4124 0.9782 N.2 1 noname -0.2534 19 N4 13.6717 -28.1675 -0.1987 N.3 1 noname -0.0665 20 O1 18.1306 -24.7935 2.7682 O.2 1 noname -0.2923 21 N5 18.9476 -26.8464 3.0602 N.3 1 noname -0.0767 22 C13 12.6187 -27.4224 -0.7936 C.3 1 noname 0.0152 23 C14 20.0826 -26.3744 3.7692 C.3 1 noname -0.0085 24 C15 11.6766 -26.8174 0.2573 C.3 1 noname 0.0054 25 N6 10.5776 -26.1213 -0.4136 N.3 1 noname -0.3291 26 H1 13.3579 -24.2027 2.2720 H 1 noname 0.0645 27 H2 12.3129 -20.9548 -0.1899 H 1 noname 0.0628 28 H3 14.5478 -20.9157 -1.0819 H 1 noname 0.0623 29 H4 16.6358 -23.9576 1.9040 H 1 noname 0.1357 30 H5 16.2008 -22.5016 -0.3069 H 1 noname 0.0639 31 H6 17.4156 -28.5684 2.0012 H 1 noname 0.0849 32 H7 13.6777 -29.1294 -0.3176 H 1 noname 0.1312 33 H8 18.8596 -27.8004 2.9222 H 1 noname 0.1309 34 H9 12.0397 -28.0984 -1.4226 H 1 noname 0.0446 35 H10 13.0296 -26.6294 -1.4216 H 1 noname 0.0446 36 H11 20.7045 -27.2223 4.0543 H 1 noname 0.0396 37 H12 20.6645 -25.7013 3.1373 H 1 noname 0.0396 38 H13 19.7675 -25.8443 4.6693 H 1 noname 0.0396 39 H14 12.2176 -26.1083 0.8833 H 1 noname 0.0438 40 H15 11.2686 -27.6114 0.8843 H 1 noname 0.0438 41 H16 10.0056 -25.7003 0.3214 H 1 noname 0.1184 42 H17 10.9966 -25.3503 -0.9365 H 1 noname 0.1184 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 26 1 9 7 9 2 10 7 27 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 28 1 15 10 12 1 16 10 29 1 17 11 30 1 18 12 13 2 19 12 14 1 20 13 15 1 21 14 16 1 22 14 17 2 23 15 18 2 24 15 19 1 25 16 20 2 26 16 21 1 27 17 18 1 28 17 31 1 29 19 22 1 30 19 32 1 31 21 23 1 32 21 33 1 33 22 24 1 34 22 34 1 35 22 35 1 36 23 36 1 37 23 37 1 38 23 38 1 39 24 25 1 40 24 39 1 41 24 40 1 42 25 41 1 43 25 42 1 @SUBSTRUCTURE 1 noname 1