@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3852 29 31 1 SMALL USER_CHARGES @ATOM 1 O1 -5.5430 1.1241 1.3837 O.2 1 noname -0.2974 2 C1 -4.6961 0.2042 1.3217 C.2 1 noname 0.0100 3 N1 -5.1431 -1.0297 1.6068 N.3 1 noname -0.0880 4 C2 -3.3491 0.4642 0.9718 C.2 1 noname 0.0050 5 C3 -2.3971 -0.5827 0.9068 C.2 1 noname 0.0286 6 C4 -2.9291 1.7863 0.6728 C.2 1 noname -0.0070 7 C5 -1.0721 -0.2836 0.5559 C.2 1 noname 0.0253 8 C6 -1.5951 2.0703 0.3209 C.2 1 noname -0.0170 9 N2 -0.0301 -1.1116 0.4169 N.2 1 noname -0.2179 10 C7 -0.6642 1.0173 0.2769 C.2 1 noname -0.0370 11 C8 1.0027 -0.3286 0.0560 C.2 1 noname -0.0294 12 N3 0.6507 0.9754 -0.0299 N.3 1 noname -0.0156 13 C9 1.4897 2.0074 -0.3659 C.2 1 noname -0.0235 14 C10 2.4536 1.8454 -1.3879 C.2 1 noname -0.0546 15 C11 1.4336 3.2505 0.3050 C.2 1 noname -0.0546 16 C12 3.3206 2.8945 -1.7399 C.2 1 noname -0.0618 17 C13 2.2976 4.3015 -0.0438 C.2 1 noname -0.0618 18 C14 3.2406 4.1245 -1.0678 C.2 1 noname -0.0849 19 H1 -6.0752 -1.1557 1.8408 H 1 noname 0.1274 20 H2 -4.5421 -1.7887 1.5778 H 1 noname 0.1274 21 H3 -2.6561 -1.5496 1.1049 H 1 noname 0.0654 22 H4 -3.5991 2.5563 0.7069 H 1 noname 0.0631 23 H5 -1.3192 3.0254 0.0959 H 1 noname 0.0643 24 H6 1.9437 -0.6875 -0.1169 H 1 noname 0.1019 25 H7 2.5206 0.9595 -1.8909 H 1 noname 0.0642 26 H8 0.7696 3.3915 1.0661 H 1 noname 0.0642 27 H9 4.0066 2.7625 -2.4838 H 1 noname 0.0623 28 H10 2.2426 5.1926 0.4501 H 1 noname 0.0623 29 H11 3.8695 4.8876 -1.3218 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 21 1 10 6 8 2 11 6 22 1 12 7 9 1 13 7 10 2 14 8 10 1 15 8 23 1 16 9 11 2 17 10 12 1 18 11 12 1 19 11 24 1 20 12 13 1 21 13 14 2 22 13 15 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