@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444075 70 73 1 SMALL USER_CHARGES @ATOM 1 F1 39.7498 -15.7549 1.6314 F 1 noname -0.2067 2 C1 39.0528 -15.0228 0.7015 C.3 1 noname 0.2503 3 F2 39.3168 -15.5518 -0.5403 F 1 noname -0.2067 4 C2 37.5478 -15.1068 1.0075 C.3 1 noname 0.0239 5 C3 39.5048 -13.5538 0.7606 C.3 1 noname 0.0239 6 C4 36.7508 -14.1788 0.0766 C.3 1 noname 0.0043 7 C5 38.6397 -12.6808 -0.1593 C.3 1 noname 0.0043 8 N1 37.2147 -12.7798 0.2196 N.3 1 noname -0.2985 9 C6 36.4167 -11.8627 -0.6262 C.3 1 noname 0.0249 10 C7 35.0527 -11.6747 -0.0962 C.2 1 noname -0.0157 11 C8 34.8496 -11.1327 1.1817 C.2 1 noname 0.0092 12 C9 33.9176 -12.0296 -0.8442 C.2 1 noname -0.0288 13 N2 33.5876 -10.9767 1.6488 N.2 1 noname -0.2398 14 C10 32.6276 -11.8486 -0.3201 C.2 1 noname -0.0118 15 C11 32.4505 -11.3036 0.9758 C.2 1 noname 0.0195 16 C12 31.1695 -11.0925 1.5879 C.2 1 noname -0.0152 17 C13 30.9965 -10.5315 2.8829 C.2 1 noname 0.0572 18 C14 29.9645 -11.4425 0.9320 C.2 1 noname 0.0280 19 N3 29.7534 -10.3674 3.4000 N.2 1 noname -0.2437 20 N4 32.0334 -10.1245 3.6579 N.3 1 noname -0.0977 21 N5 28.7555 -11.2564 1.5060 N.2 1 noname -0.2670 22 C15 28.6344 -10.7214 2.7390 C.2 1 noname 0.0849 23 C16 31.9014 -9.5694 4.9610 C.3 1 noname 0.0129 24 N6 27.4374 -10.5333 3.3250 N.3 1 noname -0.0692 25 C17 33.2593 -8.9714 5.3650 C.3 1 noname -0.0349 26 C18 31.4873 -10.6433 5.9880 C.3 1 noname -0.0349 27 C19 26.2123 -10.8873 2.7041 C.3 1 noname 0.0029 28 C20 33.1853 -8.3613 6.7730 C.3 1 noname -0.0255 29 C21 31.4103 -10.0393 7.3980 C.3 1 noname -0.0255 30 C22 25.0473 -10.5553 3.6461 C.3 1 noname -0.0404 31 C23 32.7613 -9.4263 7.7961 C.3 1 noname 0.0542 32 C24 23.7083 -10.9352 2.9972 C.3 1 noname -0.0549 33 O1 32.6472 -8.8252 9.0781 O.3 1 noname -0.3930 34 C25 22.5423 -10.6221 3.9432 C.3 1 noname -0.0653 35 H1 37.3707 -14.8027 2.0396 H 1 noname 0.0341 36 H2 37.2017 -16.1327 0.8776 H 1 noname 0.0341 37 H3 40.5497 -13.4768 0.4556 H 1 noname 0.0341 38 H4 39.4087 -13.1868 1.7836 H 1 noname 0.0341 39 H5 36.8677 -14.5117 -0.9563 H 1 noname 0.0432 40 H6 35.6987 -14.2527 0.3516 H 1 noname 0.0432 41 H7 38.7767 -12.9947 -1.1962 H 1 noname 0.0432 42 H8 38.9727 -11.6468 -0.0592 H 1 noname 0.0432 43 H9 36.8976 -10.8827 -0.6502 H 1 noname 0.0481 44 H10 36.3856 -12.2467 -1.6482 H 1 noname 0.0481 45 H11 35.6456 -10.8616 1.7598 H 1 noname 0.0842 46 H12 34.0276 -12.4266 -1.7781 H 1 noname 0.0627 47 H13 31.8336 -12.1205 -0.8980 H 1 noname 0.0645 48 H14 29.9735 -11.8534 0.0010 H 1 noname 0.0848 49 H15 32.9273 -10.1924 3.2980 H 1 noname 0.1299 50 H16 31.1593 -8.7674 4.9480 H 1 noname 0.0468 51 H17 27.4173 -10.1443 4.2131 H 1 noname 0.1312 52 H18 34.0223 -9.7513 5.3510 H 1 noname 0.0283 53 H19 33.5373 -8.1924 4.6551 H 1 noname 0.0283 54 H20 32.2173 -11.4543 5.9820 H 1 noname 0.0283 55 H21 30.5093 -11.0483 5.7290 H 1 noname 0.0283 56 H22 26.2053 -11.9572 2.4871 H 1 noname 0.0433 57 H23 26.0953 -10.3292 1.7742 H 1 noname 0.0433 58 H24 34.1652 -7.9683 7.0471 H 1 noname 0.0293 59 H25 32.4623 -7.5443 6.7761 H 1 noname 0.0293 60 H26 31.1452 -10.8223 8.1101 H 1 noname 0.0293 61 H27 30.6402 -9.2663 7.4181 H 1 noname 0.0293 62 H28 25.0513 -9.4852 3.8632 H 1 noname 0.0279 63 H29 25.1673 -11.1102 4.5772 H 1 noname 0.0279 64 H30 33.5172 -10.2102 7.8361 H 1 noname 0.0600 65 H31 23.7053 -12.0021 2.7692 H 1 noname 0.0264 66 H32 23.5792 -10.3721 2.0723 H 1 noname 0.0264 67 H33 32.3872 -9.4442 9.7921 H 1 noname 0.2104 68 H34 21.6032 -10.9001 3.4653 H 1 noname 0.0230 69 H35 22.6562 -11.1871 4.8682 H 1 noname 0.0230 70 H36 22.5272 -9.5551 4.1692 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 4 35 1 7 4 36 1 8 5 7 1 9 5 37 1 10 5 38 1 11 6 8 1 12 6 39 1 13 6 40 1 14 7 8 1 15 7 41 1 16 7 42 1 17 8 9 1 18 9 10 1 19 9 43 1 20 9 44 1 21 10 11 2 22 10 12 1 23 11 13 1 24 11 45 1 25 12 14 2 26 12 46 1 27 13 15 2 28 14 15 1 29 14 47 1 30 15 16 1 31 16 17 2 32 16 18 1 33 17 19 1 34 17 20 1 35 18 21 2 36 18 48 1 37 19 22 2 38 20 23 1 39 20 49 1 40 21 22 1 41 22 24 1 42 23 25 1 43 23 26 1 44 23 50 1 45 24 27 1 46 24 51 1 47 25 28 1 48 25 52 1 49 25 53 1 50 26 29 1 51 26 54 1 52 26 55 1 53 27 30 1 54 27 56 1 55 27 57 1 56 28 31 1 57 28 58 1 58 28 59 1 59 29 31 1 60 29 60 1 61 29 61 1 62 30 32 1 63 30 62 1 64 30 63 1 65 31 33 1 66 31 64 1 67 32 34 1 68 32 65 1 69 32 66 1 70 33 67 1 71 34 68 1 72 34 69 1 73 34 70 1 @SUBSTRUCTURE 1 noname 1