@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448118 40 41 1 SMALL USER_CHARGES @ATOM 1 F1 19.2466 -17.7568 2.8574 F 1 noname -0.1659 2 C1 19.3475 -19.1247 2.7574 C.3 1 noname 0.4206 3 F2 19.3285 -19.6206 4.0384 F 1 noname -0.1659 4 F3 20.5754 -19.3936 2.2025 F 1 noname -0.1659 5 C2 18.2715 -19.7526 1.9495 C.2 1 noname 0.0102 6 C3 18.2205 -21.1476 1.7425 C.2 1 noname 0.0697 7 C4 17.2455 -18.9996 1.3435 C.2 1 noname 0.0404 8 N1 17.2245 -21.6875 0.9996 N.2 1 noname -0.2305 9 N2 19.1574 -21.9615 2.2785 N.3 1 noname -0.0991 10 N3 16.2785 -19.6016 0.6136 N.2 1 noname -0.2542 11 C5 16.2484 -20.9395 0.4336 C.2 1 noname 0.0858 12 C6 19.1524 -23.3694 2.0995 C.3 1 noname -0.0101 13 N4 15.2554 -21.4694 -0.3142 N.3 1 noname 0.0461 14 C7 15.1054 -22.7883 -0.5721 C.2 1 noname 0.0266 15 C8 14.9283 -23.8452 0.3128 C.2 1 noname 0.0440 16 C9 15.0383 -23.3642 -1.8280 C.2 1 noname -0.0969 17 N5 14.7823 -24.9701 -0.4070 N.2 1 noname -0.3204 18 C10 14.8603 -23.7772 1.7738 C.3 1 noname 0.0485 19 N6 14.8543 -24.6922 -1.6760 N.3 1 noname -0.0563 20 C11 14.7332 -25.6591 -2.7319 C.3 1 noname 0.1361 21 C12 15.9012 -25.7121 -3.4598 C.1 1 noname 0.0797 22 C13 14.4472 -27.0680 -2.1599 C.3 1 noname -0.0284 23 C14 13.5522 -25.2841 -3.6558 C.3 1 noname -0.0284 24 N7 16.8741 -25.7530 -4.0668 N.1 1 noname -0.1856 25 H1 17.2195 -17.9856 1.4496 H 1 noname 0.0848 26 H2 19.8683 -21.5694 2.8095 H 1 noname 0.1293 27 H3 20.0083 -23.7983 2.6206 H 1 noname 0.0396 28 H4 18.2354 -23.7963 2.5096 H 1 noname 0.0396 29 H5 19.2233 -23.6123 1.0386 H 1 noname 0.0396 30 H6 14.6334 -20.8534 -0.7301 H 1 noname 0.1374 31 H7 15.1203 -22.8682 -2.7160 H 1 noname 0.0827 32 H8 14.6443 -24.7671 2.1768 H 1 noname 0.0297 33 H9 15.8102 -23.4302 2.1778 H 1 noname 0.0297 34 H10 14.0673 -23.0902 2.0718 H 1 noname 0.0297 35 H11 14.3422 -27.7969 -2.9658 H 1 noname 0.0264 36 H12 13.5182 -27.0460 -1.5869 H 1 noname 0.0264 37 H13 15.2561 -27.3830 -1.4979 H 1 noname 0.0264 38 H14 12.6372 -25.2170 -3.0658 H 1 noname 0.0264 39 H15 13.4162 -26.0450 -4.4268 H 1 noname 0.0264 40 H16 13.7282 -24.3211 -4.1388 H 1 noname 0.0264 @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 9 1 9 7 10 2 10 7 25 1 11 8 11 2 12 9 12 1 13 9 26 1 14 10 11 1 15 11 13 1 16 12 27 1 17 12 28 1 18 12 29 1 19 13 14 1 20 13 30 1 21 14 15 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 31 1 27 17 19 1 28 18 32 1 29 18 33 1 30 18 34 1 31 19 20 1 32 20 21 1 33 20 22 1 34 20 23 1 35 21 24 3 36 22 35 1 37 22 36 1 38 22 37 1 39 23 38 1 40 23 39 1 41 23 40 1 @SUBSTRUCTURE 1 noname 1