@MOLECULE DB03052 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 -0.9384 -1.4496 2.0599 O.2 1 noname -0.2602 2 C1 -0.2038 -1.2673 1.0651 C.2 1 noname 0.0805 3 O2 -0.0299 -2.2574 0.1640 O.3 1 noname -0.2194 4 C2 0.4339 -0.0452 0.8866 C.2 1 noname -0.0153 5 C3 1.2676 0.1284 -0.2638 C.2 1 noname 0.0049 6 C4 0.2267 0.9824 1.8623 C.2 1 noname 0.0049 7 C5 1.9283 1.3782 -0.4453 C.2 1 noname -0.0119 8 C6 0.8807 2.2386 1.6841 C.2 1 noname -0.0119 9 C7 1.7185 2.4334 0.5222 C.2 1 noname 0.0239 10 O3 2.3581 3.6354 0.3492 O.3 1 noname -0.2709 11 C8 1.5233 4.4389 -0.4940 C.3 1 noname 0.0695 12 C9 2.0966 5.8010 -0.8691 C.3 1 noname -0.0413 13 N1 1.1389 6.8286 -1.1792 N.3 1 noname -0.0441 14 C10 1.5761 8.0182 -1.6075 C.2 1 noname -0.0485 15 C11 -0.2002 6.8691 -1.0932 C.2 1 noname -0.0711 16 N2 0.5117 8.8146 -1.7854 N.2 1 noname -0.2422 17 C12 -0.5994 8.1457 -1.4799 C.2 1 noname 0.0081 18 H1 0.1159 -3.0871 0.6243 H 1 noname 0.2216 19 H2 1.3969 -0.6759 -0.9881 H 1 noname 0.0632 20 H3 -0.4172 0.8116 2.7250 H 1 noname 0.0632 21 H4 2.5806 1.5239 -1.3063 H 1 noname 0.0650 22 H5 0.7434 3.0317 2.4191 H 1 noname 0.0650 23 H6 1.4439 3.8663 -1.4181 H 1 noname 0.0588 24 H7 0.6346 4.6274 0.1084 H 1 noname 0.0588 25 H8 2.6109 6.1748 0.0162 H 1 noname 0.0497 26 H9 2.6462 5.6597 -1.7997 H 1 noname 0.0497 27 H10 2.6171 8.2908 -1.7811 H 1 noname 0.1015 28 H11 -0.8313 6.0391 -0.7758 H 1 noname 0.0808 29 H12 -1.6094 8.5521 -1.5342 H 1 noname 0.0853 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 2 8 7 9 2 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 14 16 2 17 15 17 2 18 16 17 1 19 3 18 1 20 5 19 1 21 6 20 1 22 7 21 1 23 8 22 1 24 11 23 1 25 11 24 1 26 12 25 1 27 12 26 1 28 14 27 1 29 15 28 1 30 17 29 1 @SUBSTRUCTURE 1 noname 1