@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446986 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 12.8801 -29.5641 0.5164 F 1 noname -0.1490 2 C1 12.8401 -28.3041 0.8464 C.2 1 noname 0.0914 3 C2 13.4190 -27.8431 2.0364 C.2 1 noname 0.0702 4 C3 12.2160 -27.3551 0.0234 C.2 1 noname 0.0702 5 N1 13.3620 -26.5261 2.3544 N.2 1 noname -0.1930 6 N2 12.1890 -26.0511 0.3915 N.2 1 noname -0.1930 7 C4 12.7540 -25.6221 1.5485 C.2 1 noname 0.0640 8 C5 12.7110 -24.1981 1.9215 C.3 1 noname 0.0715 9 N3 13.3629 -23.4411 0.9076 N.3 1 noname -0.0606 10 C6 11.2510 -23.7420 2.1095 C.3 1 noname -0.0420 11 C7 13.6998 -22.1421 1.0326 C.2 1 noname 0.0957 12 N4 13.4448 -21.4360 2.1576 N.2 1 noname -0.2240 13 N5 14.3218 -21.5300 0.0007 N.2 1 noname -0.2276 14 C8 13.7938 -20.1350 2.2637 C.2 1 noname 0.0473 15 C9 14.7037 -20.2271 0.0318 C.2 1 noname 0.0631 16 N6 13.5167 -19.4610 3.4077 N.2 1 noname -0.1926 17 C10 14.4427 -19.4730 1.1948 C.2 1 noname 0.0156 18 N7 15.3277 -19.6500 -1.0301 N.3 1 noname 0.0407 19 C11 13.8356 -18.1550 3.5867 C.2 1 noname 0.0633 20 C12 14.7836 -18.1150 1.3608 C.2 1 noname 0.0377 21 C13 15.6456 -20.2570 -2.1980 C.2 1 noname 0.0348 22 C14 14.4826 -17.4469 2.5598 C.2 1 noname 0.0677 23 N8 15.4406 -21.5369 -2.5529 N.2 1 noname -0.2137 24 C15 16.2676 -19.6159 -3.2609 C.2 1 noname -0.1113 25 F2 14.7975 -16.1929 2.7158 F 1 noname -0.1562 26 C16 15.9225 -21.6778 -3.7988 C.2 1 noname -0.0438 27 N9 16.4285 -20.5148 -4.2398 N.3 1 noname -0.0742 28 C17 17.0214 -20.2938 -5.5118 C.3 1 noname -0.0673 29 H1 13.8850 -28.4950 2.6684 H 1 noname 0.0872 30 H2 11.7810 -27.6420 -0.8534 H 1 noname 0.0872 31 H3 13.2429 -24.0720 2.8675 H 1 noname 0.0550 32 H4 13.5998 -23.8910 0.0817 H 1 noname 0.1320 33 H5 10.7110 -23.8100 1.1646 H 1 noname 0.0251 34 H6 11.2249 -22.7101 2.4595 H 1 noname 0.0251 35 H7 10.7569 -24.3720 2.8515 H 1 noname 0.0251 36 H8 15.5706 -18.7160 -0.9460 H 1 noname 0.1373 37 H9 13.6056 -17.6920 4.4667 H 1 noname 0.0871 38 H10 15.2536 -17.6050 0.6109 H 1 noname 0.0662 39 H11 16.5515 -18.6359 -3.2889 H 1 noname 0.0825 40 H12 15.9065 -22.5488 -4.3318 H 1 noname 0.1015 41 H13 16.2954 -20.5118 -6.2967 H 1 noname 0.0436 42 H14 17.8854 -20.9477 -5.6317 H 1 noname 0.0436 43 H15 17.3484 -19.2568 -5.6127 H 1 noname 0.0436 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 29 1 6 4 6 2 7 4 30 1 8 5 7 2 9 6 7 1 10 7 8 1 11 8 9 1 12 8 10 1 13 8 31 1 14 9 11 1 15 9 32 1 16 10 33 1 17 10 34 1 18 10 35 1 19 11 12 2 20 11 13 1 21 12 14 1 22 13 15 2 23 14 16 2 24 14 17 1 25 15 18 1 26 15 17 1 27 16 19 1 28 17 20 2 29 18 21 1 30 18 36 1 31 19 22 2 32 19 37 1 33 20 22 1 34 20 38 1 35 21 23 1 36 21 24 2 37 22 25 1 38 23 26 2 39 24 27 1 40 24 39 1 41 26 27 1 42 26 40 1 43 27 28 1 44 28 41 1 45 28 42 1 46 28 43 1 @SUBSTRUCTURE 1 noname 1