@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444260 57 59 1 SMALL USER_CHARGES @ATOM 1 F1 31.6010 -3.2099 5.8902 F 1 noname -0.1661 2 C1 30.5129 -3.4799 5.2263 C.2 1 noname 0.0224 3 C2 29.3308 -2.7658 5.4913 C.2 1 noname -0.0009 4 C3 30.5158 -4.4888 4.2473 C.2 1 noname -0.0009 5 C4 28.1567 -3.0597 4.7763 C.2 1 noname -0.0190 6 C5 29.3398 -4.7788 3.5333 C.2 1 noname -0.0190 7 C6 28.1547 -4.0597 3.7804 C.2 1 noname -0.0246 8 N1 27.0486 -4.4077 3.0694 N.3 1 noname -0.1384 9 C7 26.0925 -3.5696 2.5724 C.2 1 noname 0.0956 10 O1 26.2075 -2.3345 2.7515 O.2 1 noname -0.2733 11 C8 24.9874 -4.0796 1.8374 C.2 1 noname 0.0015 12 C9 23.9633 -3.2685 1.2895 C.2 1 noname 0.0799 13 C10 24.8514 -5.4666 1.6135 C.2 1 noname 0.0521 14 N2 22.9413 -3.8365 0.6035 N.2 1 noname -0.2371 15 N3 23.9573 -1.9194 1.4326 N.3 1 noname -0.0930 16 N4 23.8073 -5.9695 0.9165 N.2 1 noname -0.2602 17 C11 22.8482 -5.1695 0.4065 C.2 1 noname 0.0983 18 C12 22.9562 -1.0584 0.9036 C.3 1 noname 0.0129 19 N5 21.8292 -5.7164 -0.2803 N.3 1 noname -0.0670 20 C13 23.0562 -0.9603 -0.6323 C.3 1 noname -0.0349 21 C14 23.1502 0.3376 1.5206 C.3 1 noname -0.0349 22 C15 20.7831 -4.9444 -0.8493 C.3 1 noname 0.0029 23 C16 22.0091 0.0226 -1.1793 C.3 1 noname -0.0255 24 C17 22.1011 1.3206 0.9787 C.3 1 noname -0.0255 25 C18 19.7920 -5.8733 -1.5633 C.3 1 noname -0.0404 26 C19 22.1951 1.4117 -0.5522 C.3 1 noname 0.0542 27 C20 18.6479 -5.0623 -2.1892 C.3 1 noname -0.0549 28 O2 21.1840 2.2848 -1.0352 O.3 1 noname -0.3930 29 C21 17.6638 -5.9912 -2.9122 C.3 1 noname -0.0653 30 H1 29.3208 -2.0367 6.2054 H 1 noname 0.0653 31 H2 31.3688 -5.0138 4.0543 H 1 noname 0.0653 32 H3 27.3017 -2.5437 4.9894 H 1 noname 0.0640 33 H4 29.3527 -5.5157 2.8273 H 1 noname 0.0640 34 H5 26.9565 -5.3487 2.8604 H 1 noname 0.1374 35 H6 25.5434 -6.1236 1.9735 H 1 noname 0.0849 36 H7 24.6693 -1.5144 1.9496 H 1 noname 0.1299 37 H8 21.9672 -1.4274 1.1836 H 1 noname 0.0468 38 H9 21.8131 -6.6794 -0.3913 H 1 noname 0.1312 39 H10 24.0532 -0.6163 -0.9113 H 1 noname 0.0283 40 H11 22.8821 -1.9383 -1.0803 H 1 noname 0.0283 41 H12 24.1482 0.7086 1.2827 H 1 noname 0.0283 42 H13 23.0472 0.2706 2.6047 H 1 noname 0.0283 43 H14 21.1971 -4.2363 -1.5693 H 1 noname 0.0433 44 H15 20.2600 -4.3953 -0.0633 H 1 noname 0.0433 45 H16 22.1191 0.0997 -2.2612 H 1 noname 0.0293 46 H17 21.0101 -0.3492 -0.9502 H 1 noname 0.0293 47 H18 22.2761 2.3067 1.4108 H 1 noname 0.0293 48 H19 21.1051 0.9797 1.2627 H 1 noname 0.0293 49 H20 19.3790 -6.5823 -0.8442 H 1 noname 0.0279 50 H21 20.3150 -6.4233 -2.3473 H 1 noname 0.0279 51 H22 23.1711 1.8098 -0.8331 H 1 noname 0.0600 52 H23 19.0569 -4.3492 -2.9062 H 1 noname 0.0264 53 H24 18.1168 -4.5182 -1.4072 H 1 noname 0.0264 54 H25 21.2430 3.2018 -0.6931 H 1 noname 0.2104 55 H26 17.2388 -6.7012 -2.2032 H 1 noname 0.0230 56 H27 18.1818 -6.5342 -3.7032 H 1 noname 0.0230 57 H28 16.8608 -5.3982 -3.3512 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 30 1 6 4 6 2 7 4 31 1 8 5 7 2 9 5 32 1 10 6 7 1 11 6 33 1 12 7 8 1 13 8 9 1 14 8 34 1 15 9 10 2 16 9 11 1 17 11 12 2 18 11 13 1 19 12 14 1 20 12 15 1 21 13 16 2 22 13 35 1 23 14 17 2 24 15 18 1 25 15 36 1 26 16 17 1 27 17 19 1 28 18 20 1 29 18 21 1 30 18 37 1 31 19 22 1 32 19 38 1 33 20 23 1 34 20 39 1 35 20 40 1 36 21 24 1 37 21 41 1 38 21 42 1 39 22 25 1 40 22 43 1 41 22 44 1 42 23 26 1 43 23 45 1 44 23 46 1 45 24 26 1 46 24 47 1 47 24 48 1 48 25 27 1 49 25 49 1 50 25 50 1 51 26 28 1 52 26 51 1 53 27 29 1 54 27 52 1 55 27 53 1 56 28 54 1 57 29 55 1 58 29 56 1 59 29 57 1 @SUBSTRUCTURE 1 noname 1