@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3949 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -2.8820 0.3490 -0.5235 O.3 1 noname -0.2754 2 C1 -1.7241 0.9190 -0.0685 C.2 1 noname 0.0128 3 C2 -3.0141 -1.0518 -0.7785 C.3 1 noname 0.0423 4 C3 -1.7092 2.3230 0.1374 C.2 1 noname -0.0093 5 C4 -0.5582 0.1611 0.1904 C.2 1 noname 0.0212 6 C5 -0.5393 2.9600 0.6054 C.2 1 noname -0.0246 7 C6 -2.8931 3.1600 -0.1274 C.3 1 noname 0.0120 8 C7 0.5895 0.8171 0.6524 C.2 1 noname 0.0098 9 C8 0.6075 2.1901 0.8725 C.2 1 noname -0.0568 10 N1 1.7934 0.3092 0.9395 N.2 1 noname -0.2416 11 N2 1.8424 2.5171 1.3085 N.3 1 noname -0.0241 12 C9 2.5403 1.3582 1.3295 C.2 1 noname -0.0355 13 C10 2.3304 3.7471 1.6705 C.2 1 noname -0.0236 14 C11 3.6342 4.1421 1.2965 C.2 1 noname -0.0550 15 C12 1.5573 4.6410 2.4465 C.2 1 noname -0.0550 16 C13 4.1452 5.3971 1.6706 C.2 1 noname -0.0619 17 C14 2.0653 5.8960 2.8236 C.2 1 noname -0.0619 18 C15 3.3592 6.2751 2.4336 C.2 1 noname -0.0853 19 H1 -4.0241 -1.2497 -1.1364 H 1 noname 0.0535 20 H2 -2.3011 -1.3668 -1.5424 H 1 noname 0.0535 21 H3 -2.8461 -1.6197 0.1374 H 1 noname 0.0535 22 H4 -0.5423 -0.8477 0.0415 H 1 noname 0.0673 23 H5 -0.5263 3.9710 0.7405 H 1 noname 0.0647 24 H6 -3.7351 2.5670 -0.4854 H 1 noname 0.0280 25 H7 -3.1932 3.6680 0.7905 H 1 noname 0.0280 26 H8 -2.6492 3.9070 -0.8833 H 1 noname 0.0280 27 H9 3.5162 1.2752 1.6205 H 1 noname 0.1019 28 H10 4.2172 3.5182 0.7376 H 1 noname 0.0642 29 H11 0.6224 4.3751 2.7545 H 1 noname 0.0642 30 H12 5.0861 5.6711 1.3857 H 1 noname 0.0623 31 H13 1.4953 6.5290 3.3846 H 1 noname 0.0623 32 H14 3.7291 7.1861 2.7076 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 19 1 6 3 20 1 7 3 21 1 8 4 6 1 9 4 7 1 10 5 8 2 11 5 22 1 12 6 9 2 13 6 23 1 14 7 24 1 15 7 25 1 16 7 26 1 17 8 10 1 18 8 9 1 19 9 11 1 20 10 12 2 21 11 13 1 22 11 12 1 23 12 27 1 24 13 14 2 25 13 15 1 26 14 16 1 27 14 28 1 28 15 17 2 29 15 29 1 30 16 18 2 31 16 30 1 32 17 18 1 33 17 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1