@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439425 60 65 1 SMALL USER_CHARGES @ATOM 1 F1 10.1560 -21.4639 -7.6550 F 1 noname -0.1655 2 C1 10.6749 -20.9539 -6.5739 C.2 1 noname 0.0232 3 C2 10.8759 -21.7608 -5.4399 C.2 1 noname -0.0057 4 C3 11.0329 -19.5938 -6.5379 C.2 1 noname -0.0057 5 C4 11.4348 -21.2098 -4.2738 C.2 1 noname -0.0348 6 C5 11.5908 -19.0438 -5.3718 C.2 1 noname -0.0348 7 C6 11.7958 -19.8487 -4.2348 C.2 1 noname -0.0484 8 C7 12.3718 -19.2617 -3.0138 C.3 1 noname 0.0510 9 N1 11.3297 -18.9957 -2.0867 N.3 1 noname -0.0707 10 C8 13.6387 -19.8947 -2.4207 C.3 1 noname -0.0281 11 C9 13.6997 -18.4917 -3.0167 C.3 1 noname -0.0281 12 C10 10.8037 -17.7616 -1.9007 C.2 1 noname 0.0144 13 O1 11.2696 -16.8126 -2.5747 O.2 1 noname -0.2956 14 C11 9.7496 -17.5366 -0.9806 C.2 1 noname -0.0040 15 C12 9.2166 -16.2376 -0.8056 C.2 1 noname 0.0018 16 C13 9.1996 -18.5956 -0.2216 C.2 1 noname -0.0101 17 C14 8.1625 -15.9936 0.1003 C.2 1 noname -0.0533 18 C15 8.1495 -18.3695 0.6833 C.2 1 noname 0.0033 19 N2 7.6055 -14.7665 0.3154 N.3 1 noname 0.0230 20 C16 7.6305 -17.0765 0.8464 C.2 1 noname 0.0463 21 C17 6.5934 -14.5535 1.1854 C.2 1 noname -0.0238 22 C18 7.8925 -13.5725 -0.2305 C.2 1 noname -0.0435 23 N3 6.6135 -16.8475 1.7184 N.2 1 noname -0.2160 24 N4 6.2274 -13.2594 1.2115 N.2 1 noname -0.2057 25 C19 6.0634 -15.6214 1.9225 C.2 1 noname 0.0795 26 C20 7.0304 -12.6394 0.3335 C.2 1 noname 0.0251 27 N5 5.0574 -15.4184 2.7985 N.3 1 noname -0.0882 28 C21 4.4703 -16.4474 3.5825 C.3 1 noname 0.0130 29 C22 3.5653 -15.7903 4.6406 C.3 1 noname -0.0349 30 C23 3.6343 -17.4064 2.7106 C.3 1 noname -0.0349 31 C24 2.8883 -16.8583 5.5126 C.3 1 noname -0.0255 32 C25 2.9553 -18.4753 3.5816 C.3 1 noname -0.0255 33 C26 2.0602 -17.8152 4.6416 C.3 1 noname 0.0542 34 O2 1.4842 -18.8192 5.4647 O.3 1 noname -0.3930 35 H1 10.6168 -22.7488 -5.4608 H 1 noname 0.0653 36 H2 10.8869 -19.0028 -7.3578 H 1 noname 0.0653 37 H3 11.5768 -21.7997 -3.4538 H 1 noname 0.0627 38 H4 11.8448 -18.0547 -5.3488 H 1 noname 0.0627 39 H5 10.9707 -19.7366 -1.5777 H 1 noname 0.1322 40 H6 13.7387 -20.0236 -1.3427 H 1 noname 0.0290 41 H7 14.1517 -20.7126 -2.9267 H 1 noname 0.0290 42 H8 14.2377 -18.3196 -3.9487 H 1 noname 0.0290 43 H9 13.8347 -17.6287 -2.3637 H 1 noname 0.0290 44 H10 9.5995 -15.4575 -1.3426 H 1 noname 0.0651 45 H11 9.5585 -19.5455 -0.3206 H 1 noname 0.0631 46 H12 7.7655 -19.1475 1.2214 H 1 noname 0.0646 47 H13 8.6094 -13.3754 -0.9294 H 1 noname 0.0812 48 H14 7.0114 -11.6434 0.1145 H 1 noname 0.0853 49 H15 4.7353 -14.5094 2.9126 H 1 noname 0.1300 50 H16 5.2533 -17.0094 4.0966 H 1 noname 0.0468 51 H17 4.1663 -15.1413 5.2776 H 1 noname 0.0283 52 H18 2.7983 -15.1913 4.1466 H 1 noname 0.0283 53 H19 2.8723 -16.8403 2.1736 H 1 noname 0.0283 54 H20 4.2783 -17.9053 1.9866 H 1 noname 0.0283 55 H21 2.2322 -16.3702 6.2347 H 1 noname 0.0293 56 H22 3.6503 -17.4233 6.0507 H 1 noname 0.0293 57 H23 2.3483 -19.1213 2.9467 H 1 noname 0.0293 58 H24 3.7193 -19.0773 4.0746 H 1 noname 0.0293 59 H25 1.2632 -17.2582 4.1477 H 1 noname 0.0600 60 H26 0.9281 -19.4671 4.9827 H 1 noname 0.2104 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 35 1 6 4 6 2 7 4 36 1 8 5 7 2 9 5 37 1 10 6 7 1 11 6 38 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 11 1 16 9 12 1 17 9 39 1 18 10 11 1 19 10 40 1 20 10 41 1 21 11 42 1 22 11 43 1 23 12 13 2 24 12 14 1 25 14 15 2 26 14 16 1 27 15 17 1 28 15 44 1 29 16 18 2 30 16 45 1 31 17 19 1 32 17 20 2 33 18 20 1 34 18 46 1 35 19 21 1 36 19 22 1 37 20 23 1 38 21 24 2 39 21 25 1 40 22 26 2 41 22 47 1 42 23 25 2 43 24 26 1 44 25 27 1 45 26 48 1 46 27 28 1 47 27 49 1 48 28 29 1 49 28 30 1 50 28 50 1 51 29 31 1 52 29 51 1 53 29 52 1 54 30 32 1 55 30 53 1 56 30 54 1 57 31 33 1 58 31 55 1 59 31 56 1 60 32 33 1 61 32 57 1 62 32 58 1 63 33 34 1 64 33 59 1 65 34 60 1 @SUBSTRUCTURE 1 noname 1