@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3875 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0867 -1.0410 0.4336 N.2 1 noname -0.2559 2 C1 -1.1077 -0.1880 0.5787 C.2 1 noname 0.0067 3 C2 0.9562 -0.2860 0.0457 C.2 1 noname -0.0596 4 C3 -0.6857 1.1059 0.2697 C.2 1 noname -0.0469 5 C4 -2.4277 -0.4629 0.9647 C.2 1 noname -0.0295 6 N2 0.6251 1.0210 -0.0442 N.3 1 noname -0.0178 7 C5 -1.6068 2.1770 0.3047 C.2 1 noname -0.0018 8 C6 -3.3437 0.6050 1.0277 C.2 1 noname -0.0425 9 C7 1.5021 2.0170 -0.3671 C.2 1 noname -0.0235 10 N3 -1.2738 3.4280 -0.0531 N.3 1 noname -0.1437 11 C8 -2.9358 1.9130 0.6948 C.2 1 noname -0.0415 12 C9 1.6980 3.1130 0.5008 C.2 1 noname -0.0544 13 C10 2.2610 1.9470 -1.5551 C.2 1 noname -0.0544 14 C11 2.6140 4.1280 0.1769 C.2 1 noname -0.0618 15 C12 3.1770 2.9621 -1.8811 C.2 1 noname -0.0618 16 C13 3.3519 4.0541 -1.0150 C.2 1 noname -0.0848 17 H1 1.8881 -0.6629 -0.1352 H 1 noname 0.1019 18 H2 -2.7188 -1.4139 1.1917 H 1 noname 0.0645 19 H3 -4.3087 0.4291 1.3048 H 1 noname 0.0623 20 H4 -0.3929 3.6150 -0.4121 H 1 noname 0.1243 21 H5 -1.9249 4.1420 0.0188 H 1 noname 0.1243 22 H6 -3.6168 2.6720 0.7298 H 1 noname 0.0639 23 H7 1.1740 3.1711 1.3748 H 1 noname 0.0642 24 H8 2.1410 1.1571 -2.1910 H 1 noname 0.0642 25 H9 2.7449 4.9181 0.8099 H 1 noname 0.0623 26 H10 3.7149 2.9051 -2.7460 H 1 noname 0.0623 27 H11 4.0179 4.7901 -1.2509 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 1 13 7 11 2 14 8 11 1 15 8 19 1 16 9 12 2 17 9 13 1 18 10 20 1 19 10 21 1 20 11 22 1 21 12 14 1 22 12 23 1 23 13 15 2 24 13 24 1 25 14 16 2 26 14 25 1 27 15 16 1 28 15 26 1 29 16 27 1 @SUBSTRUCTURE 1 noname 1