@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3261 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 3.8329 4.0946 -0.5220 O.3 1 noname -0.2768 2 C1 2.6629 3.6426 -1.0629 C.2 1 noname -0.0022 3 C2 4.1298 3.9806 0.8718 C.3 1 noname 0.0423 4 C3 1.6349 3.0347 -0.3109 C.2 1 noname -0.0287 5 C4 2.4918 3.8037 -2.4498 C.2 1 noname -0.0527 6 C5 0.4569 2.5868 -0.9388 C.2 1 noname -0.0221 7 C6 1.3158 3.3648 -3.0817 C.2 1 noname -0.0534 8 N1 -0.5260 2.0169 -0.2068 N.3 1 noname 0.0067 9 C7 0.2979 2.7588 -2.3267 C.2 1 noname -0.0689 10 C8 -0.6560 0.6770 -0.0118 C.2 1 noname 0.0452 11 N2 0.2378 -0.1859 -0.5618 N.2 1 noname -0.2334 12 C9 -1.7190 0.1650 0.7621 C.2 1 noname -0.0069 13 C10 0.1538 -1.5258 -0.3987 C.2 1 noname 0.0494 14 C11 -1.7860 -1.2427 0.9161 C.2 1 noname 0.0518 15 C12 -2.7000 0.9730 1.3771 C.2 1 noname -0.0209 16 N3 -0.8561 -2.0397 0.3372 N.2 1 noname -0.2440 17 C13 -2.8200 -1.8237 1.6722 C.2 1 noname -0.0084 18 C14 -3.7309 0.3861 2.1311 C.2 1 noname -0.0521 19 C15 -3.7909 -1.0087 2.2782 C.2 1 noname -0.0368 20 H1 5.1147 4.4086 1.0579 H 1 noname 0.0535 21 H2 3.3918 4.5256 1.4629 H 1 noname 0.0535 22 H3 4.1387 2.9317 1.1729 H 1 noname 0.0535 23 H4 1.7418 2.9118 0.6960 H 1 noname 0.0666 24 H5 3.2287 4.2427 -3.0037 H 1 noname 0.0650 25 H6 1.2008 3.4878 -4.0876 H 1 noname 0.0624 26 H7 -1.1770 2.6039 0.2051 H 1 noname 0.1357 27 H8 -0.5550 2.4429 -2.7877 H 1 noname 0.0639 28 H9 0.8447 -2.1417 -0.8267 H 1 noname 0.1062 29 H10 -2.6730 1.9890 1.2812 H 1 noname 0.0630 30 H11 -2.8680 -2.8366 1.7812 H 1 noname 0.0645 31 H12 -4.4369 0.9751 2.5721 H 1 noname 0.0622 32 H13 -4.5409 -1.4316 2.8252 H 1 noname 0.0623 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 20 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 5 7 2 11 5 24 1 12 6 8 1 13 6 9 2 14 7 9 1 15 7 25 1 16 8 10 1 17 8 26 1 18 9 27 1 19 10 11 2 20 10 12 1 21 11 13 1 22 12 14 1 23 12 15 2 24 13 16 2 25 13 28 1 26 14 17 2 27 14 16 1 28 15 18 1 29 15 29 1 30 17 19 1 31 17 30 1 32 18 19 2 33 18 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1