@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3872 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.1733 3.9915 0.1733 O.2 1 noname -0.2561 2 C1 -1.3274 3.5315 0.0323 C.2 1 noname 0.0973 3 O2 -2.3425 4.4207 -0.1846 O.3 1 noname -0.2083 4 C2 -1.6145 2.1505 0.1894 C.2 1 noname 0.0222 5 C3 -2.0655 5.8188 -0.2945 C.3 1 noname 0.0457 6 C4 -0.6484 1.1105 0.3324 C.2 1 noname -0.0094 7 C5 -2.9816 1.7755 0.2814 C.2 1 noname -0.0006 8 N1 0.7025 1.0305 0.2135 N.3 1 noname -0.0071 9 C6 -1.0585 -0.1855 0.6655 C.2 1 noname 0.0261 10 C7 -3.3746 0.4575 0.5804 C.2 1 noname -0.0284 11 C8 1.6075 1.9356 -0.2524 C.2 1 noname -0.0235 12 C9 1.0615 -0.2294 0.5415 C.2 1 noname -0.0169 13 N2 -0.0045 -0.9955 0.8095 N.2 1 noname -0.2132 14 C10 -2.4076 -0.5345 0.7985 C.2 1 noname 0.0050 15 C11 2.6896 2.3537 0.5526 C.2 1 noname -0.0542 16 C12 1.5065 2.4267 -1.5725 C.2 1 noname -0.0542 17 C13 3.6376 3.2647 0.0556 C.2 1 noname -0.0618 18 C14 2.4535 3.3378 -2.0684 C.2 1 noname -0.0618 19 C15 3.5185 3.7588 -1.2534 C.2 1 noname -0.0846 20 H1 -2.9986 6.3529 -0.4735 H 1 noname 0.0536 21 H2 -1.6165 6.1868 0.6305 H 1 noname 0.0536 22 H3 -1.3845 6.0038 -1.1275 H 1 noname 0.0536 23 H4 -3.7177 2.4746 0.1644 H 1 noname 0.0631 24 H5 -4.3657 0.2275 0.6565 H 1 noname 0.0623 25 H6 2.0215 -0.5824 0.5396 H 1 noname 0.1019 26 H7 -2.6807 -1.4895 1.0326 H 1 noname 0.0645 27 H8 2.7835 1.9997 1.5057 H 1 noname 0.0642 28 H9 0.7394 2.1217 -2.1715 H 1 noname 0.0642 29 H10 4.4126 3.5668 0.6467 H 1 noname 0.0623 30 H11 2.3695 3.6938 -3.0215 H 1 noname 0.0623 31 H12 4.2066 4.4209 -1.6143 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 20 1 8 5 21 1 9 5 22 1 10 6 8 1 11 6 9 1 12 7 10 2 13 7 23 1 14 8 11 1 15 8 12 1 16 9 13 1 17 9 14 2 18 10 14 1 19 10 24 1 20 11 15 2 21 11 16 1 22 12 13 2 23 12 25 1 24 14 26 1 25 15 17 1 26 15 27 1 27 16 18 2 28 16 28 1 29 17 19 2 30 17 29 1 31 18 19 1 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1