@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447888 40 42 1 SMALL USER_CHARGES @ATOM 1 F1 35.4531 -10.3869 0.3450 F 1 noname -0.1287 2 C1 34.8490 -9.2879 -0.0049 C.2 1 noname 0.0768 3 N1 35.2300 -8.6388 -1.1328 N.2 1 noname -0.2408 4 C2 33.8060 -8.7678 0.7781 C.2 1 noname 0.0160 5 C3 34.6419 -7.4908 -1.5508 C.2 1 noname 0.0067 6 C4 33.1720 -7.5748 0.3761 C.2 1 noname 0.0003 7 C5 33.5949 -6.9327 -0.8018 C.2 1 noname -0.0390 8 N2 32.1639 -7.0007 1.0772 N.3 1 noname -0.1383 9 C6 31.6289 -7.5077 2.2922 C.3 1 noname 0.0241 10 C7 30.5028 -6.5886 2.7813 C.3 1 noname 0.0662 11 O1 31.0218 -5.2716 2.9943 O.3 1 noname -0.2736 12 C8 30.2397 -4.2305 3.4024 C.2 1 noname -0.0024 13 C9 28.8597 -4.3455 3.6744 C.2 1 noname -0.0301 14 C10 30.8647 -2.9795 3.5554 C.2 1 noname -0.0538 15 C11 28.1056 -3.2224 4.0745 C.2 1 noname -0.0227 16 C12 30.1267 -1.8594 3.9735 C.2 1 noname -0.0537 17 N3 26.7826 -3.3014 4.3635 N.3 1 noname -0.0098 18 C13 28.7516 -1.9834 4.2355 C.2 1 noname -0.0703 19 C14 25.8186 -3.8454 3.5756 C.2 1 noname 0.0136 20 C15 24.4685 -3.9023 3.9146 C.2 1 noname 0.0625 21 C16 25.9175 -4.4223 2.3126 C.2 1 noname 0.0698 22 O2 23.9634 -3.4782 4.9766 O.2 1 noname -0.2833 23 N4 23.7895 -4.4883 2.9176 N.3 1 noname 0.0780 24 C17 24.6405 -4.8133 1.9366 C.2 1 noname 0.0656 25 O3 24.3325 -5.3722 0.8627 O.2 1 noname -0.2896 26 H1 33.5149 -9.2518 1.6281 H 1 noname 0.0687 27 H2 34.9619 -7.0348 -2.4057 H 1 noname 0.0840 28 H3 33.1498 -6.0677 -1.1117 H 1 noname 0.0655 29 H4 31.7859 -6.1747 0.7342 H 1 noname 0.1282 30 H5 32.4088 -7.5486 3.0543 H 1 noname 0.0456 31 H6 31.2239 -8.5076 2.1333 H 1 noname 0.0456 32 H7 30.1038 -6.9886 3.7143 H 1 noname 0.0585 33 H8 29.7118 -6.5646 2.0293 H 1 noname 0.0585 34 H9 28.4006 -5.2514 3.5825 H 1 noname 0.0666 35 H10 31.8627 -2.8844 3.3645 H 1 noname 0.0650 36 H11 30.5886 -0.9574 4.0865 H 1 noname 0.0624 37 H12 26.4855 -2.8933 5.1926 H 1 noname 0.1343 38 H13 28.2226 -1.1653 4.5406 H 1 noname 0.0639 39 H14 26.7665 -4.5353 1.7576 H 1 noname 0.0693 40 H15 22.8344 -4.6492 2.9087 H 1 noname 0.1407 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 26 1 7 5 7 2 8 5 27 1 9 6 8 1 10 6 7 1 11 7 28 1 12 8 9 1 13 8 29 1 14 9 10 1 15 9 30 1 16 9 31 1 17 10 11 1 18 10 32 1 19 10 33 1 20 11 12 1 21 12 13 2 22 12 14 1 23 13 15 1 24 13 34 1 25 14 16 2 26 14 35 1 27 15 17 1 28 15 18 2 29 16 18 1 30 16 36 1 31 17 19 1 32 17 37 1 33 18 38 1 34 19 20 1 35 19 21 2 36 20 22 2 37 20 23 1 38 21 24 1 39 21 39 1 40 23 24 1 41 23 40 1 42 24 25 2 @SUBSTRUCTURE 1 noname 1