@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3873 29 31 1 SMALL USER_CHARGES @ATOM 1 O1 -0.3458 3.8952 -0.6916 O.2 1 noname -0.2953 2 C1 -1.3198 3.5422 0.0033 C.2 1 noname 0.0183 3 N1 -2.1749 4.5403 0.2884 N.3 1 noname -0.0863 4 C2 -1.5499 2.1952 0.3974 C.2 1 noname 0.0150 5 C3 -0.6359 1.1152 0.2074 C.2 1 noname -0.0177 6 C4 -2.8110 1.8742 0.9664 C.2 1 noname -0.0103 7 N2 0.6540 1.0062 -0.2025 N.3 1 noname -0.0091 8 C5 -1.0379 -0.1997 0.4765 C.2 1 noname 0.0228 9 C6 -3.1830 0.5492 1.2625 C.2 1 noname -0.0314 10 C7 1.5940 1.9613 -0.4435 C.2 1 noname -0.0235 11 C8 0.9580 -0.3087 -0.2394 C.2 1 noname -0.0234 12 N3 -0.0629 -1.0647 0.1845 N.2 1 noname -0.2194 13 C9 -2.3000 -0.5067 0.9985 C.2 1 noname -0.0010 14 C10 2.2020 2.0683 -1.7125 C.2 1 noname -0.0543 15 C11 2.0130 2.8243 0.5915 C.2 1 noname -0.0543 16 C12 3.1940 3.0364 -1.9494 C.2 1 noname -0.0618 17 C13 3.0040 3.7924 0.3555 C.2 1 noname -0.0618 18 C14 3.5929 3.8994 -0.9154 C.2 1 noname -0.0846 19 H1 -1.9819 5.4363 -0.0265 H 1 noname 0.1274 20 H2 -2.9760 4.3713 0.8065 H 1 noname 0.1274 21 H3 -3.5000 2.6053 1.1455 H 1 noname 0.0631 22 H4 -4.1041 0.3542 1.6555 H 1 noname 0.0623 23 H5 1.8670 -0.6907 -0.5104 H 1 noname 0.1019 24 H6 -2.5640 -1.4727 1.1946 H 1 noname 0.0645 25 H7 1.9189 1.4433 -2.4685 H 1 noname 0.0642 26 H8 1.5929 2.7494 1.5186 H 1 noname 0.0642 27 H9 3.6239 3.1104 -2.8714 H 1 noname 0.0623 28 H10 3.2969 4.4164 1.1086 H 1 noname 0.0623 29 H11 4.3119 4.6025 -1.0863 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 19 1 5 3 20 1 6 4 5 2 7 4 6 1 8 5 7 1 9 5 8 1 10 6 9 2 11 6 21 1 12 7 10 1 13 7 11 1 14 8 12 1 15 8 13 2 16 9 13 1 17 9 22 1 18 10 14 2 19 10 15 1 20 11 12 2 21 11 23 1 22 13 24 1 23 14 16 1 24 14 25 1 25 15 17 2 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1