@MOLECULE 73425409 15 14 1 SMALL USER_CHARGES @ATOM 1 O1 -0.8026 1.9519 0.9796 O.3 1 noname -0.2137 2 O2 -1.7558 1.5895 -1.0285 O.2 1 noname -0.2492 3 N1 1.0385 -0.0189 -0.1421 N.3 1 noname -0.3184 4 N2 -0.2177 -2.1397 -1.5903 N.3 1 noname -0.3284 5 C1 -0.4170 -0.1486 -0.1885 C.3 1 noname 0.1036 6 C2 -0.8281 -0.8141 -1.5034 C.3 1 noname 0.0173 7 C3 -1.0266 1.1753 -0.1017 C.2 1 noname 0.1443 8 H1 -0.7542 -0.7594 0.6489 H 1 noname 0.0585 9 H2 -1.9133 -0.9108 -1.5379 H 1 noname 0.0447 10 H3 -0.4909 -0.2032 -2.3408 H 1 noname 0.0447 11 H4 1.3131 0.4257 0.7362 H 1 noname 0.1192 12 H5 1.3546 0.5539 -0.9273 H 1 noname 0.1192 13 H6 -0.4923 -2.5843 -2.4686 H 1 noname 0.1184 14 H7 -0.5339 -2.7125 -0.8051 H 1 noname 0.1184 15 H8 -0.8070 2.9279 0.8912 H 1 noname 0.2213 @BOND 1 1 7 1 2 1 15 1 3 2 7 2 4 3 5 1 5 3 11 1 6 3 12 1 7 4 6 1 8 4 13 1 9 4 14 1 10 5 6 1 11 5 7 1 12 5 8 1 13 6 9 1 14 6 10 1 @SUBSTRUCTURE 1 noname 1