@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3215 56 60 1 SMALL USER_CHARGES @ATOM 1 O1 13.5844 -8.4861 1.7456 O.2 1 noname -0.2889 2 C1 13.1253 -8.4030 0.6146 C.2 1 noname 0.1003 3 C2 11.8242 -7.9220 0.4386 C.2 1 noname 0.0668 4 C3 13.8613 -8.9130 -0.4593 C.2 1 noname 0.0448 5 C4 11.1562 -7.1609 1.4267 C.2 1 noname 0.0653 6 C5 11.1512 -8.2120 -0.7783 C.2 1 noname 0.0469 7 C6 15.2553 -9.1560 -0.3783 C.2 1 noname 0.0474 8 C7 13.1812 -9.1960 -1.6763 C.2 1 noname 0.0289 9 O2 11.7591 -6.8269 2.5918 O.3 1 noname -0.2760 10 C8 9.8401 -6.7159 1.2177 C.2 1 noname 0.0481 11 C9 11.8142 -8.9339 -1.7703 C.2 1 noname 0.0836 12 C10 9.8281 -7.7549 -0.9682 C.2 1 noname 0.0323 13 O3 15.9573 -8.8839 0.7457 O.3 1 noname -0.2775 14 C11 15.9533 -9.6839 -1.4773 C.2 1 noname -0.0043 15 C12 13.9002 -9.7259 -2.7703 C.2 1 noname -0.0210 16 C13 9.1560 -7.0068 0.0207 C.2 1 noname 0.0329 17 O4 11.1871 -9.3439 -2.7392 O.2 1 noname -0.2938 18 C14 15.2772 -9.9709 -2.6713 C.2 1 noname -0.0231 19 C15 7.8589 -6.5667 -0.1751 C.2 1 noname 0.0950 20 O5 7.3869 -6.5117 -1.3031 O.2 1 noname -0.2573 21 O6 7.1209 -6.1717 0.8678 O.3 1 noname -0.2026 22 C16 5.7368 -5.8476 0.6969 C.3 1 noname 0.0970 23 C17 4.8737 -7.0906 0.4569 C.3 1 noname 0.0550 24 C18 5.1487 -5.2286 1.9740 C.3 1 noname 0.0239 25 N1 4.7637 -7.3886 -0.9270 N.3 1 noname -0.0732 26 C19 3.5507 -6.6876 1.1100 C.3 1 noname 0.0138 27 N2 3.9497 -5.9985 2.3400 N.3 1 noname -0.3123 28 C20 4.0686 -8.4406 -1.4189 C.2 1 noname 0.0096 29 O7 3.4556 -9.1856 -0.6189 O.2 1 noname -0.2963 30 C21 4.0256 -8.6925 -2.8089 C.2 1 noname -0.0244 31 C22 5.0126 -8.1665 -3.6759 C.2 1 noname -0.0079 32 C23 2.9905 -9.4775 -3.3659 C.2 1 noname -0.0079 33 C24 4.9585 -8.4095 -5.0589 C.2 1 noname -0.0175 34 C25 2.9345 -9.7205 -4.7489 C.2 1 noname -0.0175 35 C26 3.9175 -9.1844 -5.5968 C.2 1 noname 0.0141 36 O8 3.8675 -9.4094 -6.9278 O.3 1 noname -0.2838 37 H1 11.2101 -6.2938 3.2028 H 1 noname 0.2182 38 H2 9.3810 -6.1688 1.9468 H 1 noname 0.0658 39 H3 9.3471 -7.9699 -1.8432 H 1 noname 0.0639 40 H4 16.9132 -9.0939 0.6967 H 1 noname 0.2182 41 H5 16.9573 -9.8579 -1.4112 H 1 noname 0.0650 42 H6 13.4212 -9.9329 -3.6482 H 1 noname 0.0630 43 H7 15.7872 -10.3529 -3.4682 H 1 noname 0.0623 44 H8 5.6107 -5.1345 -0.1210 H 1 noname 0.0640 45 H9 5.3007 -7.9386 0.9960 H 1 noname 0.0510 46 H10 5.8697 -5.2675 2.7900 H 1 noname 0.0455 47 H11 4.8717 -4.1915 1.7830 H 1 noname 0.0455 48 H12 5.2457 -6.8235 -1.5519 H 1 noname 0.1318 49 H13 2.9986 -6.0035 0.4630 H 1 noname 0.0445 50 H14 2.9406 -7.5616 1.3390 H 1 noname 0.0445 51 H15 4.2746 -6.7335 2.9711 H 1 noname 0.1223 52 H16 5.7805 -7.6034 -3.3068 H 1 noname 0.0631 53 H17 2.2655 -9.8745 -2.7659 H 1 noname 0.0631 54 H18 5.6755 -8.0214 -5.6718 H 1 noname 0.0650 55 H19 2.1785 -10.2845 -5.1359 H 1 noname 0.0650 56 H20 3.1064 -9.9524 -7.2218 H 1 noname 0.2181 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 2 12 7 13 1 13 7 14 1 14 8 15 2 15 8 11 1 16 9 37 1 17 10 16 2 18 10 38 1 19 11 17 2 20 12 16 1 21 12 39 1 22 13 40 1 23 14 18 2 24 14 41 1 25 15 18 1 26 15 42 1 27 16 19 1 28 18 43 1 29 19 20 2 30 19 21 1 31 21 22 1 32 22 23 1 33 22 24 1 34 22 44 1 35 23 25 1 36 23 26 1 37 23 45 1 38 24 27 1 39 24 46 1 40 24 47 1 41 25 28 1 42 25 48 1 43 26 27 1 44 26 49 1 45 26 50 1 46 27 51 1 47 28 29 2 48 28 30 1 49 30 31 2 50 30 32 1 51 31 33 1 52 31 52 1 53 32 34 2 54 32 53 1 55 33 35 2 56 33 54 1 57 34 35 1 58 34 55 1 59 35 36 1 60 36 56 1 @SUBSTRUCTURE 1 noname 1