@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445226 37 40 1 SMALL USER_CHARGES @ATOM 1 O1 4.4539 -16.1347 -0.3488 O.3 1 noname -0.2810 2 C1 5.3758 -15.2047 -0.6927 C.2 1 noname 0.0188 3 C2 6.7228 -15.2956 -0.2547 C.2 1 noname -0.0257 4 C3 4.9488 -14.1207 -1.4817 C.2 1 noname -0.0016 5 C4 7.1877 -16.3856 0.5352 C.2 1 noname -0.0347 6 C5 7.6137 -14.2606 -0.6267 C.2 1 noname -0.0308 7 C6 5.8517 -13.1097 -1.8446 C.2 1 noname 0.0063 8 C7 6.8197 -17.7225 0.2363 C.2 1 noname 0.0095 9 C8 8.0527 -16.1746 1.6382 C.2 1 noname -0.0139 10 C9 7.1847 -13.1796 -1.4136 C.2 1 noname -0.0409 11 O2 5.4447 -12.0686 -2.6036 O.3 1 noname -0.2845 12 N1 7.2816 -18.7645 0.9773 N.2 1 noname -0.2503 13 C10 8.4967 -17.2695 2.4003 C.2 1 noname -0.0016 14 C11 8.1016 -18.5514 2.0313 C.2 1 noname 0.0649 15 C12 9.3356 -17.3875 3.5153 C.2 1 noname -0.0149 16 N2 8.6666 -19.4344 2.8594 N.3 1 noname -0.0436 17 C13 9.9815 -16.3765 4.2743 C.2 1 noname -0.0389 18 C14 9.4155 -18.7654 3.7513 C.2 1 noname -0.1071 19 C15 11.2295 -16.6314 4.8913 C.2 1 noname -0.0433 20 C16 9.3965 -15.1025 4.4614 C.2 1 noname -0.0433 21 C17 11.8774 -15.6444 5.6533 C.2 1 noname -0.0563 22 C18 10.0424 -14.1124 5.2224 C.2 1 noname -0.0563 23 C19 11.2844 -14.3824 5.8174 C.2 1 noname -0.0567 24 H1 3.5509 -15.9656 -0.6907 H 1 noname 0.2182 25 H2 3.9768 -14.0666 -1.7886 H 1 noname 0.0677 26 H3 8.5927 -14.2916 -0.3356 H 1 noname 0.0631 27 H4 6.2107 -17.9235 -0.5576 H 1 noname 0.0846 28 H5 8.3536 -15.2305 1.8803 H 1 noname 0.0637 29 H6 7.8447 -12.4455 -1.6746 H 1 noname 0.0650 30 H7 4.5007 -12.0976 -2.8655 H 1 noname 0.2181 31 H8 8.5555 -20.3973 2.8194 H 1 noname 0.1537 32 H9 9.9505 -19.2064 4.5013 H 1 noname 0.0796 33 H10 11.6844 -17.5394 4.7834 H 1 noname 0.0629 34 H11 8.4824 -14.8874 4.0634 H 1 noname 0.0629 35 H12 12.7784 -15.8444 6.0874 H 1 noname 0.0622 36 H13 9.6044 -13.1994 5.3474 H 1 noname 0.0622 37 H14 11.7523 -13.6654 6.3714 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 24 1 3 2 3 2 4 2 4 1 5 3 5 1 6 3 6 1 7 4 7 2 8 4 25 1 9 5 8 2 10 5 9 1 11 6 10 2 12 6 26 1 13 7 11 1 14 7 10 1 15 8 12 1 16 8 27 1 17 9 13 2 18 9 28 1 19 10 29 1 20 11 30 1 21 12 14 2 22 13 15 1 23 13 14 1 24 14 16 1 25 15 17 1 26 15 18 2 27 16 18 1 28 16 31 1 29 17 19 2 30 17 20 1 31 18 32 1 32 19 21 1 33 19 33 1 34 20 22 2 35 20 34 1 36 21 23 2 37 21 35 1 38 22 23 1 39 22 36 1 40 23 37 1 @SUBSTRUCTURE 1 noname 1