@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442156 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 30.4113 -1.8545 3.8884 F 1 noname -0.1655 2 C1 29.1612 -2.1054 3.6164 C.2 1 noname 0.0244 3 C2 28.1632 -1.8164 4.5624 C.2 1 noname -0.0013 4 C3 28.8082 -2.6643 2.3775 C.2 1 noname -0.0013 5 C4 26.8162 -2.0853 4.2675 C.2 1 noname -0.0194 6 C5 27.4592 -2.9323 2.0876 C.2 1 noname -0.0194 7 C6 26.4392 -2.6463 3.0246 C.2 1 noname -0.0254 8 C7 25.0152 -2.9392 2.6816 C.3 1 noname 0.3147 9 F2 24.6881 -2.2132 1.5567 F 1 noname -0.1939 10 F3 24.1222 -2.5122 3.6436 F 1 noname -0.1939 11 C8 24.7891 -4.3931 2.4647 C.2 1 noname 0.0460 12 N1 24.4321 -4.8601 1.2408 N.2 1 noname -0.2377 13 C9 24.9491 -5.3181 3.5137 C.2 1 noname -0.0027 14 C10 24.2191 -6.1720 0.9938 C.2 1 noname 0.0882 15 C11 24.7061 -6.6780 3.2637 C.2 1 noname 0.0467 16 N2 24.3570 -7.0559 2.0108 N.2 1 noname -0.2353 17 N3 23.8870 -6.5459 -0.2570 N.3 1 noname -0.0668 18 N4 24.9140 -7.5450 4.2837 N.3 1 noname 0.0412 19 C12 23.6400 -7.8878 -0.6559 C.3 1 noname 0.0144 20 C13 24.6760 -8.8799 4.3618 C.2 1 noname 0.0538 21 C14 23.1100 -7.8718 -2.0999 C.3 1 noname -0.0348 22 C15 24.9169 -8.7507 -0.5869 C.3 1 noname -0.0348 23 N5 25.2649 -9.5948 5.3418 N.2 1 noname -0.3390 24 C16 23.8959 -9.7748 3.6219 C.2 1 noname 0.0196 25 C17 22.8129 -9.3007 -2.5808 C.3 1 noname -0.0255 26 C18 24.6329 -10.1797 -1.0738 C.3 1 noname -0.0255 27 N6 24.9479 -10.8477 5.2329 N.3 1 noname -0.0470 28 C19 24.1199 -11.0207 4.1989 C.2 1 noname -0.0547 29 C20 22.9779 -9.6478 2.5630 C.2 1 noname -0.0214 30 C21 24.0819 -10.1626 -2.5068 C.3 1 noname 0.0542 31 C22 23.5039 -12.1857 3.7190 C.2 1 noname -0.0338 32 C23 22.3479 -10.8057 2.0630 C.2 1 noname -0.0504 33 O1 23.7738 -11.4895 -2.9087 O.3 1 noname -0.3930 34 C24 22.6169 -12.0686 2.6321 C.2 1 noname -0.0489 35 H1 28.4132 -1.4103 5.4644 H 1 noname 0.0653 36 H2 29.5271 -2.8763 1.6855 H 1 noname 0.0653 37 H3 26.1072 -1.8693 4.9695 H 1 noname 0.0628 38 H4 27.2171 -3.3372 1.1826 H 1 noname 0.0628 39 H5 25.2301 -5.0030 4.4437 H 1 noname 0.0677 40 H6 23.7960 -5.8469 -0.9229 H 1 noname 0.1315 41 H7 25.3429 -7.1659 5.0658 H 1 noname 0.1373 42 H8 22.8710 -8.3208 -0.0169 H 1 noname 0.0469 43 H9 23.8509 -7.4167 -2.7588 H 1 noname 0.0283 44 H10 22.1910 -7.2868 -2.1418 H 1 noname 0.0283 45 H11 25.6929 -8.3047 -1.2108 H 1 noname 0.0283 46 H12 25.2789 -8.8017 0.4400 H 1 noname 0.0283 47 H13 22.4609 -9.2656 -3.6117 H 1 noname 0.0293 48 H14 22.0359 -9.7386 -1.9538 H 1 noname 0.0293 49 H15 25.5568 -10.7566 -1.0498 H 1 noname 0.0293 50 H16 23.9059 -10.6496 -0.4098 H 1 noname 0.0293 51 H17 25.2569 -11.5526 5.8229 H 1 noname 0.1755 52 H18 22.7359 -8.7407 2.1750 H 1 noname 0.0630 53 H19 24.8368 -9.7546 -3.1797 H 1 noname 0.0600 54 H20 23.6848 -13.0916 4.1530 H 1 noname 0.0643 55 H21 21.6869 -10.7286 1.2901 H 1 noname 0.0622 56 H22 23.1028 -11.9365 -2.3527 H 1 noname 0.2104 57 H23 22.1528 -12.8995 2.2631 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 35 1 6 4 6 2 7 4 36 1 8 5 7 2 9 5 37 1 10 6 7 1 11 6 38 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 11 1 16 11 12 2 17 11 13 1 18 12 14 1 19 13 15 2 20 13 39 1 21 14 16 2 22 14 17 1 23 15 18 1 24 15 16 1 25 17 19 1 26 17 40 1 27 18 20 1 28 18 41 1 29 19 21 1 30 19 22 1 31 19 42 1 32 20 23 2 33 20 24 1 34 21 25 1 35 21 43 1 36 21 44 1 37 22 26 1 38 22 45 1 39 22 46 1 40 23 27 1 41 24 28 2 42 24 29 1 43 25 30 1 44 25 47 1 45 25 48 1 46 26 30 1 47 26 49 1 48 26 50 1 49 27 28 1 50 27 51 1 51 28 31 1 52 29 32 2 53 29 52 1 54 30 33 1 55 30 53 1 56 31 34 2 57 31 54 1 58 32 34 1 59 32 55 1 60 33 56 1 61 34 57 1 @SUBSTRUCTURE 1 noname 1