@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440659 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 16.3210 -11.8917 5.6253 F 1 noname -0.1660 2 C1 15.4080 -12.1597 4.6303 C.3 1 noname 0.4191 3 F2 15.2859 -11.0016 3.9013 F 1 noname -0.1660 4 F3 14.2168 -12.4196 5.2623 F 1 noname -0.1660 5 C2 15.7719 -13.3047 3.7473 C.2 1 noname -0.0082 6 C3 14.9848 -13.6586 2.6172 C.2 1 noname 0.0178 7 C4 16.9319 -14.0656 4.0083 C.2 1 noname 0.0260 8 N1 13.8588 -12.9126 2.3723 N.3 1 noname -0.0079 9 C5 15.3588 -14.7847 1.8492 C.2 1 noname -0.0171 10 N2 17.2619 -15.1156 3.2233 N.2 1 noname -0.2755 11 C6 13.0587 -12.7745 1.2623 C.2 1 noname 0.0082 12 C7 16.5178 -15.5097 2.1633 C.2 1 noname 0.0280 13 C8 11.7636 -12.1845 1.3983 C.2 1 noname -0.0155 14 C9 13.5146 -13.1165 -0.0346 C.2 1 noname -0.0468 15 N3 16.8488 -16.5717 1.3863 N.3 1 noname 0.0058 16 C10 11.2145 -11.7784 2.6524 C.2 1 noname 0.0123 17 C11 10.9695 -12.0124 0.2363 C.2 1 noname -0.0209 18 C12 12.7096 -12.9395 -1.1677 C.2 1 noname -0.0465 19 C13 17.9328 -17.3767 1.5384 C.2 1 noname -0.0339 20 O1 11.8455 -11.9294 3.7235 O.2 1 noname -0.2953 21 N4 9.9834 -11.2144 2.7525 N.3 1 noname -0.0792 22 C14 11.4315 -12.3914 -1.0316 C.2 1 noname -0.0710 23 C15 18.6498 -17.7536 0.3834 C.2 1 noname -0.0038 24 C16 18.3248 -17.8956 2.7905 C.2 1 noname -0.0503 25 C17 9.4163 -10.8033 3.9876 C.3 1 noname -0.0085 26 O2 18.2928 -17.2996 -0.8485 O.3 1 noname -0.2734 27 C18 19.7478 -18.6256 0.4854 C.2 1 noname -0.0381 28 C19 19.4268 -18.7606 2.8895 C.2 1 noname -0.0768 29 C20 18.6308 -15.9554 -1.1985 C.3 1 noname 0.0424 30 C21 20.1468 -19.1316 1.7375 C.2 1 noname -0.0460 31 N5 21.2138 -19.9686 1.8355 N.3 1 noname -0.1346 32 C22 22.3408 -19.6496 2.6526 C.3 1 noname 0.0267 33 C23 21.2828 -21.1896 1.0975 C.3 1 noname 0.0267 34 C24 23.6049 -19.6515 1.7776 C.3 1 noname 0.0599 35 C25 22.5508 -21.1775 0.2295 C.3 1 noname 0.0599 36 O3 23.6818 -20.8745 1.0466 O.3 1 noname -0.3786 37 H1 17.5369 -13.8376 4.7974 H 1 noname 0.0846 38 H2 13.5807 -12.3725 3.1253 H 1 noname 0.1342 39 H3 14.7727 -15.1126 1.0842 H 1 noname 0.0673 40 H4 14.4626 -13.4545 -0.1816 H 1 noname 0.0639 41 H5 16.2887 -16.7417 0.6123 H 1 noname 0.1358 42 H6 10.0354 -11.6054 0.2953 H 1 noname 0.0631 43 H7 13.0616 -13.1934 -2.0907 H 1 noname 0.0623 44 H8 9.4644 -11.0823 1.9465 H 1 noname 0.1309 45 H9 10.8415 -12.2574 -1.8536 H 1 noname 0.0622 46 H10 17.8037 -17.6506 3.6336 H 1 noname 0.0640 47 H11 8.4273 -10.3833 3.8036 H 1 noname 0.0396 48 H12 9.3213 -11.6593 4.6577 H 1 noname 0.0396 49 H13 10.0463 -10.0453 4.4547 H 1 noname 0.0396 50 H14 20.2618 -18.8886 -0.3555 H 1 noname 0.0667 51 H15 19.7008 -19.1256 3.8026 H 1 noname 0.0639 52 H16 18.2867 -15.7604 -2.2135 H 1 noname 0.0535 53 H17 18.1507 -15.2464 -0.5224 H 1 noname 0.0535 54 H18 19.7127 -15.8164 -1.1595 H 1 noname 0.0535 55 H19 22.4458 -20.4096 3.4277 H 1 noname 0.0458 56 H20 22.2418 -18.6725 3.1297 H 1 noname 0.0458 57 H21 20.4097 -21.3376 0.4576 H 1 noname 0.0458 58 H22 21.3437 -22.0236 1.7986 H 1 noname 0.0458 59 H23 24.4868 -19.5495 2.4107 H 1 noname 0.0579 60 H24 23.5658 -18.8124 1.0816 H 1 noname 0.0579 61 H25 22.6868 -22.1556 -0.2324 H 1 noname 0.0579 62 H26 22.4517 -20.4225 -0.5514 H 1 noname 0.0579 @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 9 1 9 7 10 2 10 7 37 1 11 8 11 1 12 8 38 1 13 9 12 2 14 9 39 1 15 10 12 1 16 11 13 2 17 11 14 1 18 12 15 1 19 13 16 1 20 13 17 1 21 14 18 2 22 14 40 1 23 15 19 1 24 15 41 1 25 16 20 2 26 16 21 1 27 17 22 2 28 17 42 1 29 18 22 1 30 18 43 1 31 19 23 2 32 19 24 1 33 21 25 1 34 21 44 1 35 22 45 1 36 23 26 1 37 23 27 1 38 24 28 2 39 24 46 1 40 25 47 1 41 25 48 1 42 25 49 1 43 26 29 1 44 27 30 2 45 27 50 1 46 28 30 1 47 28 51 1 48 29 52 1 49 29 53 1 50 29 54 1 51 30 31 1 52 31 32 1 53 31 33 1 54 32 34 1 55 32 55 1 56 32 56 1 57 33 35 1 58 33 57 1 59 33 58 1 60 34 36 1 61 34 59 1 62 34 60 1 63 35 36 1 64 35 61 1 65 35 62 1 @SUBSTRUCTURE 1 noname 1