@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446275 54 58 1 SMALL USER_CHARGES @ATOM 1 F1 7.6787 -23.6034 -2.0029 F 1 noname -0.1661 2 C1 6.9157 -22.4663 -1.8689 C.3 1 noname 0.4161 3 F2 5.8966 -22.5602 -2.7859 F 1 noname -0.1661 4 F3 7.7137 -21.4032 -2.2168 F 1 noname -0.1661 5 C2 6.3647 -22.2623 -0.5028 C.2 1 noname -0.0023 6 C3 6.6366 -23.1512 0.5632 C.2 1 noname -0.0004 7 C4 5.5416 -21.1432 -0.2437 C.2 1 noname -0.0262 8 C5 6.1056 -22.9302 1.8483 C.2 1 noname -0.0119 9 C6 4.9995 -20.9221 1.0332 C.2 1 noname -0.0444 10 N1 6.3725 -23.7872 2.8604 N.3 1 noname -0.1251 11 C7 5.2755 -21.8191 2.0764 C.2 1 noname -0.0322 12 C8 7.5755 -23.8721 3.4864 C.2 1 noname 0.1200 13 O1 8.5184 -23.1061 3.1854 O.2 1 noname -0.2544 14 N2 7.8215 -24.7641 4.4765 N.3 1 noname -0.1256 15 C9 6.9754 -25.7241 4.9275 C.2 1 noname -0.0158 16 C10 6.2463 -26.5611 4.0556 C.2 1 noname -0.0166 17 C11 6.8863 -25.9391 6.3136 C.2 1 noname -0.0298 18 C12 5.4042 -27.5841 4.5466 C.2 1 noname -0.0309 19 C13 6.0683 -26.9591 6.8217 C.2 1 noname -0.0483 20 C14 4.6772 -28.4211 3.6617 C.2 1 noname -0.0148 21 C15 5.3352 -27.7760 5.9457 C.2 1 noname -0.0424 22 C16 4.0931 -28.1080 2.4307 C.2 1 noname -0.0019 23 C17 4.4061 -29.7811 3.8507 C.2 1 noname -0.1059 24 C18 3.5300 -29.2740 1.9227 C.2 1 noname 0.0615 25 C19 3.9651 -26.9119 1.7027 C.2 1 noname -0.0170 26 N3 3.7311 -30.2670 2.7947 N.3 1 noname -0.0435 27 N4 2.8940 -29.2890 0.7297 N.2 1 noname -0.2514 28 C20 3.2950 -26.9149 0.4527 C.2 1 noname -0.0365 29 C21 2.7739 -28.1529 -0.0072 C.2 1 noname 0.0062 30 C22 3.1360 -25.7179 -0.3042 C.2 1 noname -0.0398 31 C23 3.2129 -25.7308 -1.7182 C.2 1 noname -0.0463 32 C24 2.8849 -24.4798 0.3338 C.2 1 noname -0.0463 33 C25 3.0449 -24.5527 -2.4652 C.2 1 noname -0.0570 34 C26 2.7069 -23.3017 -0.4111 C.2 1 noname -0.0570 35 C27 2.7888 -23.3376 -1.8111 C.2 1 noname -0.0597 36 H1 7.2306 -23.9662 0.4072 H 1 noname 0.0645 37 H2 5.3315 -20.4851 -0.9957 H 1 noname 0.0628 38 H3 4.4025 -20.1121 1.2013 H 1 noname 0.0623 39 H4 5.6554 -24.3591 3.1714 H 1 noname 0.1385 40 H5 4.8794 -21.6561 3.0035 H 1 noname 0.0639 41 H6 8.6824 -24.6941 4.9165 H 1 noname 0.1385 42 H7 6.3593 -26.4360 3.0486 H 1 noname 0.0645 43 H8 7.4223 -25.3550 6.9577 H 1 noname 0.0639 44 H9 6.0082 -27.1100 7.8298 H 1 noname 0.0623 45 H10 4.7442 -28.5110 6.3387 H 1 noname 0.0629 46 H11 4.6951 -30.3350 4.6578 H 1 noname 0.0796 47 H12 4.3530 -26.0469 2.0778 H 1 noname 0.0637 48 H13 3.4360 -31.1840 2.6828 H 1 noname 0.1537 49 H14 2.2769 -28.2048 -0.8972 H 1 noname 0.0846 50 H15 3.4049 -26.6008 -2.2182 H 1 noname 0.0629 51 H16 2.8139 -24.4257 1.3518 H 1 noname 0.0629 52 H17 3.1108 -24.5797 -3.4821 H 1 noname 0.0622 53 H18 2.5208 -22.4196 0.0659 H 1 noname 0.0622 54 H19 2.6678 -22.4806 -2.3531 H 1 noname 0.0622 @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 36 1 9 7 9 2 10 7 37 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 38 1 15 10 12 1 16 10 39 1 17 11 40 1 18 12 13 2 19 12 14 1 20 14 15 1 21 14 41 1 22 15 16 2 23 15 17 1 24 16 18 1 25 16 42 1 26 17 19 2 27 17 43 1 28 18 20 1 29 18 21 2 30 19 21 1 31 19 44 1 32 20 22 1 33 20 23 2 34 21 45 1 35 22 24 2 36 22 25 1 37 23 26 1 38 23 46 1 39 24 27 1 40 24 26 1 41 25 28 2 42 25 47 1 43 26 48 1 44 27 29 2 45 28 30 1 46 28 29 1 47 29 49 1 48 30 31 2 49 30 32 1 50 31 33 1 51 31 50 1 52 32 34 2 53 32 51 1 54 33 35 2 55 33 52 1 56 34 35 1 57 34 53 1 58 35 54 1 @SUBSTRUCTURE 1 noname 1