@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4064 38 41 1 SMALL USER_CHARGES @ATOM 1 S1 5.9265 4.3319 -2.6506 S.3 1 noname -0.2119 2 C1 5.0024 3.2649 -1.6436 C.2 1 noname 0.0361 3 C2 4.4304 4.9890 -3.2246 C.2 1 noname 0.0149 4 C3 3.6194 3.4110 -1.7455 C.2 1 noname -0.0041 5 C4 3.3023 4.4110 -2.6595 C.2 1 noname -0.0132 6 C5 2.6713 2.6540 -1.0175 C.2 1 noname 0.0494 7 C6 2.7092 1.2280 -0.9744 C.2 1 noname 0.1076 8 C7 1.6542 3.3091 -0.3054 C.2 1 noname 0.0161 9 O1 3.5992 0.6150 -1.6094 O.2 1 noname -0.2732 10 N1 1.7722 0.5160 -0.2513 N.3 1 noname -0.1019 11 C8 0.7011 2.5751 0.4276 C.2 1 noname 0.0151 12 C9 0.7761 1.1660 0.4436 C.2 1 noname 0.0591 13 C10 1.8111 -0.9179 -0.2033 C.3 1 noname 0.0012 14 C11 -0.3349 3.1821 1.1566 C.2 1 noname 0.0266 15 N2 -0.1469 0.4681 1.1517 N.2 1 noname -0.2012 16 N3 -1.2179 2.4171 1.8417 N.2 1 noname -0.2281 17 C12 -1.1410 1.0661 1.8538 C.2 1 noname 0.0902 18 N4 -2.0760 0.3832 2.5578 N.3 1 noname 0.0298 19 C13 -2.1761 -0.9667 2.6799 C.2 1 noname -0.0304 20 C14 -1.0621 -1.8187 2.8459 C.2 1 noname -0.0554 21 C15 -3.4702 -1.5247 2.6869 C.2 1 noname -0.0554 22 C16 -1.2402 -3.2057 2.9890 C.2 1 noname -0.0623 23 C17 -3.6493 -2.9117 2.8310 C.2 1 noname -0.0623 24 C18 -2.5343 -3.7527 2.9790 C.2 1 noname -0.0807 25 H1 5.4454 2.5839 -1.0255 H 1 noname 0.0745 26 H2 4.3834 5.7370 -3.9166 H 1 noname 0.0739 27 H3 2.3482 4.6900 -2.8955 H 1 noname 0.0637 28 H4 1.6012 4.3301 -0.3133 H 1 noname 0.0638 29 H5 2.6341 -1.3359 -0.7853 H 1 noname 0.0404 30 H6 1.9271 -1.2449 0.8307 H 1 noname 0.0404 31 H7 0.8770 -1.3219 -0.5993 H 1 noname 0.0404 32 H8 -0.4299 4.1982 1.1767 H 1 noname 0.0848 33 H9 -2.7701 0.9142 2.9769 H 1 noname 0.1373 34 H10 -0.1181 -1.4336 2.8690 H 1 noname 0.0639 35 H11 -4.2873 -0.9226 2.5829 H 1 noname 0.0639 36 H12 -0.4302 -3.8147 3.1040 H 1 noname 0.0623 37 H13 -4.5903 -3.3077 2.8290 H 1 noname 0.0623 38 H14 -2.6633 -4.7586 3.0831 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 25 1 5 3 5 2 6 3 26 1 7 4 6 1 8 4 5 1 9 5 27 1 10 6 7 1 11 6 8 2 12 7 9 2 13 7 10 1 14 8 11 1 15 8 28 1 16 10 12 1 17 10 13 1 18 11 14 1 19 11 12 2 20 12 15 1 21 13 29 1 22 13 30 1 23 13 31 1 24 14 16 2 25 14 32 1 26 15 17 2 27 16 17 1 28 17 18 1 29 18 19 1 30 18 33 1 31 19 20 2 32 19 21 1 33 20 22 1 34 20 34 1 35 21 23 2 36 21 35 1 37 22 24 2 38 22 36 1 39 23 24 1 40 23 37 1 41 24 38 1 @SUBSTRUCTURE 1 noname 1