@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439431 44 47 1 SMALL USER_CHARGES @ATOM 1 F1 15.8622 -18.9842 0.5288 F 1 noname -0.1643 2 C1 16.9852 -19.6181 0.7129 C.2 1 noname 0.0352 3 C2 17.0971 -20.9720 0.3509 C.2 1 noname 0.0011 4 C3 18.0861 -18.9531 1.2789 C.2 1 noname 0.0011 5 C4 18.3090 -21.6540 0.5469 C.2 1 noname -0.0124 6 C5 19.3000 -19.6360 1.4699 C.2 1 noname -0.0124 7 C6 19.4330 -20.9869 1.0830 C.2 1 noname -0.0305 8 C7 20.6569 -21.6609 1.2930 C.2 1 noname 0.0458 9 N1 21.2799 -21.5969 2.4840 N.2 1 noname -0.3073 10 C8 21.3818 -22.5268 0.4540 C.2 1 noname 0.0255 11 N2 22.3108 -22.3748 2.4700 N.3 1 noname -0.0380 12 C9 21.2128 -22.8737 -0.9238 C.2 1 noname -0.0140 13 C10 22.4098 -22.9798 1.2801 C.2 1 noname -0.0683 14 C11 23.1957 -22.5578 3.5600 C.3 1 noname -0.0398 15 C12 20.3868 -22.1227 -1.7897 C.2 1 noname 0.0051 16 C13 21.8997 -23.9777 -1.4827 C.2 1 noname -0.0045 17 C14 20.2097 -22.5037 -3.1326 C.2 1 noname 0.0187 18 C15 21.7107 -24.3236 -2.8286 C.2 1 noname 0.0063 19 N3 20.8757 -23.5876 -3.5996 N.2 1 noname -0.2365 20 C16 19.3167 -21.7496 -4.0305 C.3 1 noname 0.0734 21 N4 17.9537 -21.7116 -3.4645 N.3 1 noname -0.3044 22 C17 19.8307 -20.3146 -4.2705 C.3 1 noname 0.0678 23 C18 17.0447 -20.9746 -4.3564 C.3 1 noname 0.0195 24 O1 18.9006 -19.6126 -5.0914 O.3 1 noname -0.3779 25 C19 17.5676 -19.5495 -4.5904 C.3 1 noname 0.0593 26 H1 16.2971 -21.4639 -0.0509 H 1 noname 0.0653 27 H2 18.0080 -17.9731 1.5519 H 1 noname 0.0653 28 H3 18.3690 -22.6409 0.2890 H 1 noname 0.0630 29 H4 20.0900 -19.1370 1.8839 H 1 noname 0.0630 30 H5 23.1527 -23.6277 1.0171 H 1 noname 0.0815 31 H6 22.8757 -21.9477 4.4061 H 1 noname 0.0453 32 H7 23.2007 -23.6057 3.8600 H 1 noname 0.0453 33 H8 24.2047 -22.2597 3.2711 H 1 noname 0.0453 34 H9 19.9217 -21.2767 -1.4686 H 1 noname 0.0648 35 H10 22.5227 -24.5546 -0.9157 H 1 noname 0.0645 36 H11 22.1946 -25.1296 -3.2256 H 1 noname 0.0839 37 H12 19.2786 -22.2606 -4.9945 H 1 noname 0.0556 38 H13 18.0076 -21.1816 -2.5925 H 1 noname 0.1230 39 H14 19.9396 -19.7816 -3.3235 H 1 noname 0.0587 40 H15 20.7976 -20.3476 -4.7744 H 1 noname 0.0587 41 H16 16.9666 -21.4945 -5.3114 H 1 noname 0.0452 42 H17 16.0577 -20.9245 -3.8974 H 1 noname 0.0452 43 H18 16.9306 -19.0425 -5.3153 H 1 noname 0.0579 44 H19 17.5525 -18.9955 -3.6514 H 1 noname 0.0579 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 26 1 6 4 6 2 7 4 27 1 8 5 7 2 9 5 28 1 10 6 7 1 11 6 29 1 12 7 8 1 13 8 9 2 14 8 10 1 15 9 11 1 16 10 12 1 17 10 13 2 18 11 14 1 19 11 13 1 20 12 15 2 21 12 16 1 22 13 30 1 23 14 31 1 24 14 32 1 25 14 33 1 26 15 17 1 27 15 34 1 28 16 18 2 29 16 35 1 30 17 19 2 31 17 20 1 32 18 19 1 33 18 36 1 34 20 21 1 35 20 22 1 36 20 37 1 37 21 23 1 38 21 38 1 39 22 24 1 40 22 39 1 41 22 40 1 42 23 25 1 43 23 41 1 44 23 42 1 45 24 25 1 46 25 43 1 47 25 44 1 @SUBSTRUCTURE 1 noname 1