@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3260 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 0.4364 0.2618 0.2618 N.2 1 noname -0.2320 2 C1 -0.7695 0.8908 0.2068 C.2 1 noname 0.0463 3 C2 0.6433 -0.9670 0.7748 C.2 1 noname 0.0497 4 N2 -0.7125 2.1507 -0.3800 N.3 1 noname 0.0101 5 C3 -1.8955 0.1898 0.7418 C.2 1 noname -0.0060 6 N3 -0.4066 -1.6419 1.2768 N.2 1 noname -0.2433 7 C4 -1.7715 2.9757 -0.5869 C.2 1 noname -0.0302 8 C5 0.5562 2.6617 -0.8319 C.3 1 noname -0.0019 9 C6 -1.6485 -1.1079 1.2749 C.2 1 noname 0.0521 10 C7 -3.2324 0.6608 0.7999 C.2 1 noname -0.0206 11 C8 -2.0965 3.9637 0.3639 C.2 1 noname -0.0567 12 C9 -2.5225 2.8808 -1.7768 C.2 1 noname -0.0567 13 C10 -2.6815 -1.8878 1.8239 C.2 1 noname -0.0083 14 C11 -4.2654 -0.1170 1.3489 C.2 1 noname -0.0520 15 C12 -3.1785 4.8327 0.1380 C.2 1 noname -0.0626 16 C13 -3.6044 3.7497 -2.0008 C.2 1 noname -0.0626 17 C14 -3.9925 -1.3928 1.8599 C.2 1 noname -0.0367 18 C15 -3.9334 4.7237 -1.0428 C.2 1 noname -0.0823 19 H1 1.5772 -1.3769 0.7819 H 1 noname 0.1062 20 H2 0.4812 3.6577 -1.2769 H 1 noname 0.0403 21 H3 1.2461 2.7228 0.0109 H 1 noname 0.0403 22 H4 0.9741 1.9898 -1.5828 H 1 noname 0.0403 23 H5 -3.4954 1.5748 0.4509 H 1 noname 0.0630 24 H6 -1.5486 4.0487 1.2209 H 1 noname 0.0639 25 H7 -2.2845 2.1768 -2.4757 H 1 noname 0.0639 26 H8 -2.4826 -2.8157 2.1979 H 1 noname 0.0645 27 H9 -5.2174 0.2479 1.3759 H 1 noname 0.0622 28 H10 -3.4145 5.5436 0.8310 H 1 noname 0.0623 29 H11 -4.1494 3.6738 -2.8587 H 1 noname 0.0623 30 H12 -4.7435 -1.9567 2.2589 H 1 noname 0.0623 31 H13 -4.7184 5.3547 -1.2058 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 19 1 7 4 7 1 8 4 8 1 9 5 9 1 10 5 10 2 11 6 9 1 12 7 11 2 13 7 12 1 14 8 20 1 15 8 21 1 16 8 22 1 17 9 13 2 18 10 14 1 19 10 23 1 20 11 15 1 21 11 24 1 22 12 16 2 23 12 25 1 24 13 17 1 25 13 26 1 26 14 17 2 27 14 27 1 28 15 18 2 29 15 28 1 30 16 18 1 31 16 29 1 32 17 30 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1