@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444923 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 13.9885 -4.5598 0.1751 F 1 noname -0.1661 2 C1 12.7155 -4.6588 -0.3368 C.3 1 noname 0.4161 3 F2 12.7574 -4.1507 -1.6137 F 1 noname -0.1661 4 F3 11.9125 -3.8458 0.4272 F 1 noname -0.1661 5 C2 12.1714 -6.0427 -0.3537 C.2 1 noname -0.0059 6 C3 12.9054 -7.1516 0.1282 C.2 1 noname -0.0132 7 C4 10.8765 -6.2726 -0.8656 C.2 1 noname -0.0261 8 C5 12.3794 -8.4665 0.1142 C.2 1 noname -0.0313 9 C6 10.3334 -7.5645 -0.8956 C.2 1 noname -0.0480 10 C7 13.1353 -9.5704 0.6153 C.2 1 noname -0.0302 11 C8 11.0783 -8.6494 -0.4096 C.2 1 noname -0.0452 12 C9 13.9902 -9.4253 1.7353 C.2 1 noname -0.0084 13 C10 13.0492 -10.8453 0.0094 C.2 1 noname -0.0314 14 C11 14.7401 -10.5082 2.2513 C.2 1 noname 0.0533 15 C12 13.7881 -11.9332 0.4984 C.2 1 noname -0.0034 16 C13 14.6301 -11.7671 1.6084 C.2 1 noname 0.0471 17 C14 15.6061 -10.4032 3.3713 C.2 1 noname 0.0329 18 N1 15.3440 -12.8251 2.0614 N.2 1 noname -0.1887 19 C15 15.7780 -9.2342 4.0823 C.2 1 noname 0.0909 20 C16 16.3310 -11.5371 3.7953 C.2 1 noname 0.0568 21 C17 16.1880 -12.7650 3.1224 C.2 1 noname 0.0562 22 O1 14.8240 -8.5992 4.5044 O.2 1 noname -0.2586 23 O2 16.9879 -8.8012 4.3884 O.3 1 noname -0.2183 24 C18 16.8839 -13.9249 3.5165 C.2 1 noname 0.0411 25 O3 17.6458 -13.9169 4.5114 O.2 1 noname -0.2853 26 N2 16.7049 -15.0699 2.8205 N.3 1 noname -0.0664 27 C19 17.3258 -16.3098 3.1416 C.3 1 noname 0.0156 28 C20 16.6928 -17.4337 2.2936 C.3 1 noname -0.0122 29 C21 18.8357 -16.2538 2.8516 C.3 1 noname -0.0490 30 C22 15.2438 -17.5877 2.5387 C.2 1 noname -0.0662 31 C23 14.3088 -17.3016 1.5228 C.2 1 noname -0.0476 32 C24 14.7778 -18.0226 3.7967 C.2 1 noname -0.0476 33 C25 12.9318 -17.4436 1.7608 C.2 1 noname -0.0313 34 C26 13.4008 -18.1676 4.0357 C.2 1 noname -0.0313 35 C27 12.4758 -17.8765 3.0178 C.2 1 noname -0.0019 36 O4 11.1498 -18.0124 3.2408 O.3 1 noname -0.2861 37 H1 13.8473 -6.9935 0.4882 H 1 noname 0.0635 38 H2 10.3244 -5.4906 -1.2196 H 1 noname 0.0628 39 H3 9.3954 -7.7155 -1.2665 H 1 noname 0.0622 40 H4 10.6543 -9.5774 -0.4306 H 1 noname 0.0629 41 H5 14.0582 -8.5133 2.1893 H 1 noname 0.0636 42 H6 12.4542 -10.9922 -0.8065 H 1 noname 0.0629 43 H7 13.7151 -12.8431 0.0424 H 1 noname 0.0645 44 H8 16.9579 -11.4671 4.5994 H 1 noname 0.0655 45 H9 16.9868 -7.9772 4.9174 H 1 noname 0.2216 46 H10 16.0818 -15.0479 2.0776 H 1 noname 0.1317 47 H11 17.1807 -16.5327 4.2016 H 1 noname 0.0470 48 H12 17.1887 -18.3776 2.5287 H 1 noname 0.0332 49 H13 16.8767 -17.2127 1.2397 H 1 noname 0.0332 50 H14 19.3107 -15.4988 3.4787 H 1 noname 0.0246 51 H15 19.0027 -16.0057 1.8027 H 1 noname 0.0246 52 H16 19.2856 -17.2227 3.0687 H 1 noname 0.0246 53 H17 14.6298 -16.9846 0.6068 H 1 noname 0.0626 54 H18 15.4427 -18.2355 4.5407 H 1 noname 0.0626 55 H19 12.2618 -17.2325 1.0209 H 1 noname 0.0650 56 H20 13.0738 -18.4835 4.9487 H 1 noname 0.0650 57 H21 10.9168 -18.3184 4.1419 H 1 noname 0.2181 @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 37 1 9 7 9 2 10 7 38 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 39 1 15 10 12 2 16 10 13 1 17 11 40 1 18 12 14 1 19 12 41 1 20 13 15 2 21 13 42 1 22 14 16 1 23 14 17 2 24 15 16 1 25 15 43 1 26 16 18 2 27 17 19 1 28 17 20 1 29 18 21 1 30 19 22 2 31 19 23 1 32 20 21 2 33 20 44 1 34 21 24 1 35 23 45 1 36 24 25 2 37 24 26 1 38 26 27 1 39 26 46 1 40 27 28 1 41 27 29 1 42 27 47 1 43 28 30 1 44 28 48 1 45 28 49 1 46 29 50 1 47 29 51 1 48 29 52 1 49 30 31 2 50 30 32 1 51 31 33 1 52 31 53 1 53 32 34 2 54 32 54 1 55 33 35 2 56 33 55 1 57 34 35 1 58 34 56 1 59 35 36 1 60 36 57 1 @SUBSTRUCTURE 1 noname 1