@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443655 38 41 1 SMALL USER_CHARGES @ATOM 1 O1 14.6631 -14.6631 0.0000 O.3 1 noname -0.3196 2 C1 15.3111 -15.8361 0.1430 C.2 1 noname 0.1563 3 C2 13.3691 -14.9641 0.2320 C.2 1 noname 0.1129 4 N1 14.4370 -16.8050 0.4470 N.2 1 noname -0.1357 5 N2 16.6360 -16.0300 0.0000 N.3 1 noname -0.0408 6 N3 13.2580 -16.2760 0.5020 N.2 1 noname -0.1261 7 C3 12.3011 -14.0550 0.1970 C.2 1 noname 0.0057 8 C4 17.5490 -14.9890 -0.3318 C.3 1 noname 0.0371 9 C5 12.3400 -12.6880 -0.0718 C.2 1 noname 0.0020 10 C6 10.9560 -14.3520 0.4291 C.2 1 noname -0.0618 11 C7 18.8749 -15.5809 -0.6268 C.2 1 noname -0.0474 12 C8 17.6519 -13.9509 0.8061 C.3 1 noname -0.0451 13 C9 11.0320 -12.2129 0.0041 C.2 1 noname 0.0650 14 C10 13.3850 -11.8010 -0.3778 C.2 1 noname -0.0246 15 N4 10.2190 -13.2330 0.3071 N.3 1 noname -0.0016 16 C11 19.5658 -16.3309 0.3492 C.2 1 noname -0.0523 17 C12 19.4688 -15.4049 -1.8947 C.2 1 noname -0.0523 18 N5 10.7430 -10.9079 -0.2137 N.2 1 noname -0.2522 19 C13 13.0719 -10.4460 -0.6017 C.2 1 noname -0.0520 20 C14 20.8228 -16.8908 0.0652 C.2 1 noname -0.0592 21 C15 20.7258 -15.9638 -2.1806 C.2 1 noname -0.0592 22 C16 11.7299 -10.0199 -0.5137 C.2 1 noname -0.0029 23 C17 21.4037 -16.7068 -1.1996 C.2 1 noname -0.0613 24 H1 16.9780 -16.9319 0.1061 H 1 noname 0.1324 25 H2 17.1759 -14.4719 -1.2187 H 1 noname 0.0517 26 H3 10.5850 -15.2749 0.6561 H 1 noname 0.0797 27 H4 18.4149 -13.2099 0.5651 H 1 noname 0.0250 28 H5 16.6979 -13.4379 0.9271 H 1 noname 0.0250 29 H6 17.9099 -14.4399 1.7462 H 1 noname 0.0250 30 H7 14.3509 -12.1239 -0.4377 H 1 noname 0.0630 31 H8 9.2580 -13.1729 0.4182 H 1 noname 0.1537 32 H9 19.1508 -16.4708 1.2712 H 1 noname 0.0626 33 H10 18.9858 -14.8658 -2.6146 H 1 noname 0.0626 34 H11 13.8089 -9.7779 -0.8267 H 1 noname 0.0639 35 H12 21.3137 -17.4308 0.7793 H 1 noname 0.0622 36 H13 21.1477 -15.8298 -3.1006 H 1 noname 0.0622 37 H14 11.4958 -9.0399 -0.6766 H 1 noname 0.0839 38 H15 22.3167 -17.1138 -1.4066 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 1 9 5 24 1 10 7 9 1 11 7 10 2 12 8 11 1 13 8 12 1 14 8 25 1 15 9 13 2 16 9 14 1 17 10 15 1 18 10 26 1 19 11 16 2 20 11 17 1 21 12 27 1 22 12 28 1 23 12 29 1 24 13 18 1 25 13 15 1 26 14 19 2 27 14 30 1 28 15 31 1 29 16 20 1 30 16 32 1 31 17 21 2 32 17 33 1 33 18 22 2 34 19 22 1 35 19 34 1 36 20 23 2 37 20 35 1 38 21 23 1 39 21 36 1 40 22 37 1 41 23 38 1 @SUBSTRUCTURE 1 noname 1