@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4102 42 45 1 SMALL USER_CHARGES @ATOM 1 F1 11.2348 -0.0874 6.3087 F 1 noname -0.1661 2 C1 11.2257 -1.4514 6.1448 C.3 1 noname 0.4161 3 F2 12.4917 -1.9274 6.3878 F 1 noname -0.1661 4 F3 10.4087 -1.9684 7.1249 F 1 noname -0.1661 5 C2 10.8077 -1.7984 4.7608 C.2 1 noname -0.0167 6 C3 11.5657 -1.3253 3.6668 C.2 1 noname -0.0261 7 C4 9.6696 -2.5913 4.4898 C.2 1 noname -0.0261 8 C5 11.2026 -1.6353 2.3458 C.2 1 noname -0.0491 9 C6 9.3065 -2.9043 3.1688 C.2 1 noname -0.0491 10 C7 10.0726 -2.4332 2.0858 C.2 1 noname -0.0461 11 C8 9.6845 -2.7712 0.6998 C.3 1 noname -0.0190 12 N1 9.7334 -4.1842 0.4569 N.3 1 noname -0.0539 13 C9 8.6874 -5.0432 0.3369 C.2 1 noname -0.0449 14 C10 10.8724 -4.9002 0.2869 C.2 1 noname -0.0821 15 C11 7.2953 -4.8372 0.4379 C.2 1 noname 0.0301 16 C12 9.1764 -6.3302 0.0839 C.2 1 noname -0.0301 17 C13 10.5594 -6.2402 0.0540 C.2 1 noname -0.0293 18 C14 12.2164 -4.4851 0.3080 C.2 1 noname -0.0073 19 O1 6.7662 -3.6231 0.7060 O.3 1 noname -0.2695 20 C15 6.4252 -5.9341 0.2670 C.2 1 noname 0.0419 21 C16 8.3243 -7.4332 -0.0859 C.2 1 noname -0.0406 22 C17 11.5544 -7.2092 -0.1549 C.2 1 noname -0.0019 23 C18 13.2304 -5.4421 0.1020 C.2 1 noname 0.0337 24 O2 5.0881 -5.7471 0.3590 O.3 1 noname -0.2731 25 C19 6.9362 -7.2221 0.0050 C.2 1 noname -0.0149 26 C20 12.9014 -6.7962 -0.1279 C.2 1 noname 0.0306 27 O3 14.5254 -5.0581 0.1240 O.3 1 noname -0.2745 28 O4 13.8884 -7.7001 -0.3228 O.3 1 noname -0.2754 29 H1 12.3927 -0.7493 3.8339 H 1 noname 0.0628 30 H2 9.0976 -2.9483 5.2549 H 1 noname 0.0628 31 H3 11.7686 -1.2822 1.5728 H 1 noname 0.0626 32 H4 8.4805 -3.4783 2.9979 H 1 noname 0.0626 33 H5 8.6854 -2.3781 0.5239 H 1 noname 0.0523 34 H6 10.3435 -2.2742 -0.0151 H 1 noname 0.0523 35 H7 12.4574 -3.5071 0.4700 H 1 noname 0.0671 36 H8 5.7852 -3.6230 0.7490 H 1 noname 0.2183 37 H9 8.6982 -8.3652 -0.2709 H 1 noname 0.0630 38 H10 11.3104 -8.1852 -0.3219 H 1 noname 0.0658 39 H11 4.5531 -6.5571 0.2231 H 1 noname 0.2183 40 H12 6.2971 -8.0091 -0.1148 H 1 noname 0.0651 41 H13 15.1554 -5.7941 -0.0258 H 1 noname 0.2183 42 H14 13.5773 -8.6171 -0.4738 H 1 noname 0.2183 @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 29 1 9 7 9 2 10 7 30 1 11 8 10 2 12 8 31 1 13 9 10 1 14 9 32 1 15 10 11 1 16 11 12 1 17 11 33 1 18 11 34 1 19 12 13 1 20 12 14 1 21 13 15 2 22 13 16 1 23 14 17 2 24 14 18 1 25 15 19 1 26 15 20 1 27 16 21 2 28 16 17 1 29 17 22 1 30 18 23 2 31 18 35 1 32 19 36 1 33 20 24 1 34 20 25 2 35 21 25 1 36 21 37 1 37 22 26 2 38 22 38 1 39 23 27 1 40 23 26 1 41 24 39 1 42 25 40 1 43 26 28 1 44 27 41 1 45 28 42 1 @SUBSTRUCTURE 1 noname 1