@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442780 39 42 1 SMALL USER_CHARGES @ATOM 1 F1 31.0218 -23.0486 3.6559 F 1 noname -0.1660 2 C1 30.1848 -22.3495 2.8119 C.3 1 noname 0.4176 3 F2 29.5218 -21.5245 3.6810 F 1 noname -0.1660 4 F3 29.3808 -23.3385 2.3120 F 1 noname -0.1660 5 C2 30.8417 -21.5665 1.7090 C.2 1 noname 0.0022 6 C3 30.1797 -20.7355 0.7230 C.2 1 noname 0.0195 7 C4 32.2567 -21.6794 1.6741 C.2 1 noname -0.0245 8 N1 28.7827 -20.4984 0.5731 N.3 1 noname 0.0739 9 C5 31.0296 -20.0654 -0.2198 C.2 1 noname -0.0230 10 C6 33.0426 -21.0164 0.7351 C.2 1 noname -0.0637 11 C7 28.2686 -19.6574 -0.4248 C.2 1 noname 0.0438 12 C8 27.8057 -21.0584 1.3551 C.2 1 noname -0.0282 13 C9 30.5106 -19.2204 -1.2198 C.2 1 noname 0.0134 14 C10 32.4286 -20.2054 -0.2108 C.2 1 noname -0.0447 15 N2 26.9686 -19.4344 -0.5648 N.2 1 noname -0.1410 16 C11 29.1406 -19.0074 -1.3327 C.2 1 noname 0.0645 17 C12 27.1726 -22.2543 0.9501 C.2 1 noname -0.0531 18 C13 27.2766 -20.3463 2.4531 C.2 1 noname -0.0566 19 C14 26.4246 -18.6513 -1.4867 C.2 1 noname 0.1143 20 C15 28.5695 -18.1673 -2.3217 C.2 1 noname 0.0817 21 C16 26.0896 -22.7823 1.6792 C.2 1 noname -0.0580 22 C17 26.1946 -20.8643 3.1842 C.2 1 noname -0.0625 23 O1 25.1856 -18.5023 -1.5397 O.2 1 noname -0.2481 24 N3 27.2246 -18.0123 -2.3727 N.3 1 noname 0.1044 25 O2 29.2705 -17.5583 -3.1606 O.2 1 noname -0.2831 26 C18 25.6096 -22.0823 2.8032 C.2 1 noname -0.0801 27 C19 25.4746 -24.0483 1.2522 C.3 1 noname -0.0015 28 H1 32.7517 -22.2594 2.3501 H 1 noname 0.0629 29 H2 34.0576 -21.1224 0.7432 H 1 noname 0.0623 30 H3 31.1396 -18.7524 -1.8777 H 1 noname 0.0638 31 H4 33.0135 -19.7204 -0.8947 H 1 noname 0.0629 32 H5 27.5116 -22.7453 0.1222 H 1 noname 0.0642 33 H6 27.6846 -19.4503 2.7231 H 1 noname 0.0639 34 H7 25.8296 -20.3512 3.9872 H 1 noname 0.0623 35 H8 26.8315 -17.4402 -3.0476 H 1 noname 0.1424 36 H9 24.8236 -22.4522 3.3402 H 1 noname 0.0625 37 H10 24.6536 -24.3312 1.9132 H 1 noname 0.0279 38 H11 25.0866 -23.9412 0.2383 H 1 noname 0.0279 39 H12 26.2235 -24.8412 1.2662 H 1 noname 0.0279 @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 28 1 11 8 11 1 12 8 12 1 13 9 13 1 14 9 14 2 15 10 14 1 16 10 29 1 17 11 15 2 18 11 16 1 19 12 17 2 20 12 18 1 21 13 16 2 22 13 30 1 23 14 31 1 24 15 19 1 25 16 20 1 26 17 21 1 27 17 32 1 28 18 22 2 29 18 33 1 30 19 23 2 31 19 24 1 32 20 25 2 33 20 24 1 34 21 26 2 35 21 27 1 36 22 26 1 37 22 34 1 38 24 35 1 39 26 36 1 40 27 37 1 41 27 38 1 42 27 39 1 @SUBSTRUCTURE 1 noname 1