@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442777 45 47 1 SMALL USER_CHARGES @ATOM 1 F1 7.6825 -12.3827 -3.8803 F 1 noname -0.1655 2 C1 7.4695 -11.7917 -2.7393 C.2 1 noname 0.0234 3 C2 8.0884 -12.2697 -1.5713 C.2 1 noname -0.0050 4 C3 6.6194 -10.6727 -2.6732 C.2 1 noname -0.0050 5 C4 7.8563 -11.6306 -0.3412 C.2 1 noname -0.0323 6 C5 6.3904 -10.0357 -1.4412 C.2 1 noname -0.0323 7 C6 7.0043 -10.5096 -0.2642 C.2 1 noname -0.0446 8 C7 6.7573 -9.8406 1.0367 C.3 1 noname 0.0938 9 O1 8.0092 -9.4096 1.5787 O.3 1 noname -0.3467 10 C8 6.0513 -10.7605 2.0727 C.3 1 noname 0.0326 11 C9 8.6332 -8.2486 1.0338 C.3 1 noname 0.1469 12 C10 4.7813 -11.3315 1.5488 C.2 1 noname -0.0526 13 C11 5.7693 -9.9995 3.3927 C.3 1 noname -0.0032 14 O2 7.7872 -7.1186 1.2318 O.3 1 noname -0.3585 15 C12 3.7133 -10.4925 1.1638 C.2 1 noname -0.0575 16 C13 4.6313 -12.7284 1.4158 C.2 1 noname -0.0575 17 N1 6.9642 -9.6745 4.0917 N.3 1 noname 0.0217 18 C14 8.2641 -5.8706 0.7379 C.3 1 noname 0.0384 19 C15 2.5223 -11.0374 0.6549 C.2 1 noname -0.0609 20 C16 3.4403 -13.2753 0.9078 C.2 1 noname -0.0609 21 N2 7.8231 -10.5415 4.5288 N.2 1 noname -0.2171 22 C17 7.3841 -8.4465 4.4188 C.2 1 noname -0.0261 23 C18 2.3853 -12.4293 0.5279 C.2 1 noname -0.0638 24 N3 8.8080 -9.9454 5.1288 N.2 1 noname -0.1615 25 C19 8.5800 -8.6265 5.0858 C.2 1 noname 0.0570 26 H1 8.7073 -13.0806 -1.6122 H 1 noname 0.0653 27 H2 6.1674 -10.3217 -3.5182 H 1 noname 0.0653 28 H3 8.3113 -11.9826 0.5027 H 1 noname 0.0627 29 H4 5.7714 -9.2247 -1.4032 H 1 noname 0.0627 30 H5 6.1273 -8.9596 0.8927 H 1 noname 0.0662 31 H6 6.7372 -11.5755 2.3158 H 1 noname 0.0399 32 H7 9.5801 -8.0865 1.5498 H 1 noname 0.0883 33 H8 8.8251 -8.3905 -0.0300 H 1 noname 0.0883 34 H9 5.1673 -10.6285 4.0527 H 1 noname 0.0498 35 H10 5.2032 -9.0915 3.1748 H 1 noname 0.0498 36 H11 3.8033 -9.4804 1.2489 H 1 noname 0.0625 37 H12 5.3932 -13.3514 1.6848 H 1 noname 0.0625 38 H13 7.5291 -5.0955 0.9559 H 1 noname 0.0530 39 H14 9.2080 -5.6165 1.2219 H 1 noname 0.0530 40 H15 8.4130 -5.9315 -0.3400 H 1 noname 0.0530 41 H16 1.7563 -10.4224 0.3779 H 1 noname 0.0622 42 H17 3.3422 -14.2863 0.8149 H 1 noname 0.0622 43 H18 6.9241 -7.5605 4.2098 H 1 noname 0.0826 44 H19 1.5202 -12.8263 0.1580 H 1 noname 0.0622 45 H20 9.1750 -7.8944 5.4719 H 1 noname 0.0873 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 26 1 6 4 6 2 7 4 27 1 8 5 7 2 9 5 28 1 10 6 7 1 11 6 29 1 12 7 8 1 13 8 9 1 14 8 10 1 15 8 30 1 16 9 11 1 17 10 12 1 18 10 13 1 19 10 31 1 20 11 14 1 21 11 32 1 22 11 33 1 23 12 15 2 24 12 16 1 25 13 17 1 26 13 34 1 27 13 35 1 28 14 18 1 29 15 19 1 30 15 36 1 31 16 20 2 32 16 37 1 33 17 21 1 34 17 22 1 35 18 38 1 36 18 39 1 37 18 40 1 38 19 23 2 39 19 41 1 40 20 23 1 41 20 42 1 42 21 24 2 43 22 25 2 44 22 43 1 45 23 44 1 46 24 25 1 47 25 45 1 @SUBSTRUCTURE 1 noname 1