@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3938 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 -1.9946 -1.5607 0.7801 O.3 1 noname -0.2629 2 C1 -1.6906 -0.2427 0.7961 C.2 1 noname 0.0763 3 C2 -2.7057 0.7353 0.8042 C.2 1 noname 0.0481 4 C3 -0.3537 0.1842 0.8122 C.2 1 noname 0.0400 5 O2 -4.0017 0.3563 0.7932 O.3 1 noname -0.2731 6 C4 -2.3757 2.1063 0.8312 C.2 1 noname -0.0025 7 N1 0.7662 -0.5476 0.8282 N.2 1 noname -0.2338 8 C5 -0.0167 1.5373 0.8222 C.2 1 noname -0.0484 9 C6 -1.0288 2.5184 0.8443 C.2 1 noname -0.0277 10 C7 1.7752 0.3413 0.8502 C.2 1 noname -0.0484 11 N2 1.3301 1.6204 0.8382 N.3 1 noname -0.0267 12 C8 2.1251 2.7384 0.8373 C.2 1 noname -0.0236 13 C9 1.8241 3.8515 0.0203 C.2 1 noname -0.0551 14 C10 3.2871 2.7944 1.6413 C.2 1 noname -0.0551 15 C11 2.6481 4.9905 0.0164 C.2 1 noname -0.0619 16 C12 4.1130 3.9315 1.6404 C.2 1 noname -0.0619 17 C13 3.7930 5.0315 0.8284 C.2 1 noname -0.0853 18 H1 -1.2076 -2.1467 0.7802 H 1 noname 0.2183 19 H2 -4.1288 -0.6156 0.7792 H 1 noname 0.2183 20 H3 -3.1188 2.8063 0.8453 H 1 noname 0.0651 21 H4 -0.7978 3.5104 0.8773 H 1 noname 0.0644 22 H5 2.7602 0.0704 0.8603 H 1 noname 0.1019 23 H6 1.0081 3.8335 -0.5905 H 1 noname 0.0642 24 H7 3.5321 2.0065 2.2414 H 1 noname 0.0642 25 H8 2.4170 5.7856 -0.5795 H 1 noname 0.0623 26 H9 4.9450 3.9585 2.2314 H 1 noname 0.0623 27 H10 4.3920 5.8576 0.8264 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 18 1 3 2 3 2 4 2 4 1 5 3 5 1 6 3 6 1 7 4 7 1 8 4 8 2 9 5 19 1 10 6 9 2 11 6 20 1 12 7 10 2 13 8 11 1 14 8 9 1 15 9 21 1 16 10 11 1 17 10 22 1 18 11 12 1 19 12 13 2 20 12 14 1 21 13 15 1 22 13 23 1 23 14 16 2 24 14 24 1 25 15 17 2 26 15 25 1 27 16 17 1 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 noname 1