@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444919 61 64 1 SMALL USER_CHARGES @ATOM 1 F1 4.4762 -21.6316 -4.0367 F 1 noname -0.1661 2 C1 3.8851 -20.6416 -3.2847 C.3 1 noname 0.4161 3 F2 2.6621 -20.3835 -3.8547 F 1 noname -0.1661 4 F3 4.6691 -19.5205 -3.4127 F 1 noname -0.1661 5 C2 3.7171 -20.9875 -1.8477 C.2 1 noname -0.0059 6 C3 4.1291 -22.2295 -1.3126 C.2 1 noname -0.0132 7 C4 3.1261 -20.0485 -0.9756 C.2 1 noname -0.0261 8 C5 3.9670 -22.5494 0.0573 C.2 1 noname -0.0313 9 C6 2.9560 -20.3384 0.3863 C.2 1 noname -0.0480 10 C7 4.3860 -23.8113 0.5744 C.2 1 noname -0.0302 11 C8 3.3740 -21.5764 0.8964 C.2 1 noname -0.0452 12 C9 4.9619 -23.9203 1.8644 C.2 1 noname -0.0084 13 C10 4.2369 -24.9933 -0.1865 C.2 1 noname -0.0314 14 C11 5.3879 -25.1612 2.3915 C.2 1 noname 0.0534 15 C12 4.6419 -26.2372 0.3185 C.2 1 noname -0.0034 16 C13 5.2108 -26.3232 1.5975 C.2 1 noname 0.0471 17 C14 5.9728 -25.3142 3.6765 C.2 1 noname 0.0330 18 N1 5.5868 -27.5341 2.0715 N.2 1 noname -0.1887 19 C15 6.2108 -24.2531 4.5266 C.2 1 noname 0.0909 20 C16 6.3388 -26.6011 4.1225 C.2 1 noname 0.0569 21 C17 6.1397 -27.7241 3.2966 C.2 1 noname 0.0562 22 O1 6.7887 -23.2481 4.1446 O.2 1 noname -0.2586 23 O2 5.8837 -24.3241 5.8046 O.3 1 noname -0.2183 24 C18 6.4927 -29.0280 3.6966 C.2 1 noname 0.0417 25 O3 6.9946 -29.2479 4.8236 O.2 1 noname -0.2851 26 N2 6.2676 -30.0599 2.8536 N.3 1 noname -0.0645 27 C19 6.5496 -31.4229 3.1577 C.3 1 noname 0.0418 28 C20 8.0705 -31.6678 3.1997 C.3 1 noname 0.0624 29 C21 5.9116 -32.3268 2.0787 C.3 1 noname -0.0097 30 O4 8.3355 -33.0377 3.4898 O.3 1 noname -0.3829 31 C22 4.4475 -32.1507 1.9768 C.2 1 noname -0.0661 32 C23 9.7054 -33.4277 3.5298 C.3 1 noname 0.0356 33 C24 3.6115 -32.5177 3.0519 C.2 1 noname -0.0476 34 C25 3.8675 -31.6127 0.8099 C.2 1 noname -0.0476 35 C26 2.2195 -32.3437 2.9639 C.2 1 noname -0.0312 36 C27 2.4755 -31.4366 0.7209 C.2 1 noname -0.0312 37 C28 1.6504 -31.8016 1.7989 C.2 1 noname -0.0019 38 O5 0.3114 -31.6346 1.7210 O.3 1 noname -0.2861 39 H1 4.5670 -22.9094 -1.9355 H 1 noname 0.0635 40 H2 2.8180 -19.1445 -1.3346 H 1 noname 0.0628 41 H3 2.5270 -19.6504 1.0054 H 1 noname 0.0622 42 H4 3.2289 -21.7674 1.8884 H 1 noname 0.0629 43 H5 5.0799 -23.0743 2.4245 H 1 noname 0.0636 44 H6 3.8159 -24.9613 -1.1164 H 1 noname 0.0629 45 H7 4.5179 -27.0792 -0.2454 H 1 noname 0.0645 46 H8 6.7567 -26.7191 5.0486 H 1 noname 0.0655 47 H9 6.1287 -23.5251 6.3157 H 1 noname 0.2216 48 H10 5.8496 -29.8579 2.0017 H 1 noname 0.1318 49 H11 6.1275 -31.6778 4.1327 H 1 noname 0.0496 50 H12 8.5224 -31.0468 3.9748 H 1 noname 0.0582 51 H13 8.5065 -31.4068 2.2338 H 1 noname 0.0582 52 H14 6.1195 -33.3697 2.3208 H 1 noname 0.0333 53 H15 6.3865 -32.1047 1.1208 H 1 noname 0.0333 54 H16 9.7674 -34.4917 3.7549 H 1 noname 0.0529 55 H17 10.1724 -33.2377 2.5639 H 1 noname 0.0529 56 H18 10.2284 -32.8657 4.3049 H 1 noname 0.0529 57 H19 4.0164 -32.9116 3.9019 H 1 noname 0.0626 58 H20 4.4584 -31.3426 0.0229 H 1 noname 0.0626 59 H21 1.6224 -32.6106 3.7469 H 1 noname 0.0650 60 H22 2.0664 -31.0436 -0.1270 H 1 noname 0.0650 61 H23 -0.0035 -31.2495 0.8771 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 39 1 9 7 9 2 10 7 40 1 11 8 10 1 12 8 11 2 13 9 11 1 14 9 41 1 15 10 12 2 16 10 13 1 17 11 42 1 18 12 14 1 19 12 43 1 20 13 15 2 21 13 44 1 22 14 16 1 23 14 17 2 24 15 16 1 25 15 45 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 46 1 34 21 24 1 35 23 47 1 36 24 25 2 37 24 26 1 38 26 27 1 39 26 48 1 40 27 28 1 41 27 29 1 42 27 49 1 43 28 30 1 44 28 50 1 45 28 51 1 46 29 31 1 47 29 52 1 48 29 53 1 49 30 32 1 50 31 33 2 51 31 34 1 52 32 54 1 53 32 55 1 54 32 56 1 55 33 35 1 56 33 57 1 57 34 36 2 58 34 58 1 59 35 37 2 60 35 59 1 61 36 37 1 62 36 60 1 63 37 38 1 64 38 61 1 @SUBSTRUCTURE 1 noname 1