@MOLECULE 34 36 1 SMALL USER_CHARGES @ATOM 1 C1 3.7421 1.9332 2.8126 C.3 1 noname 0.0424 2 O1 3.1597 1.3437 3.9911 O.3 1 noname -0.2648 3 C2 1.7927 1.3771 3.9687 C.2 1 noname 0.0471 4 C3 1.0558 0.3063 3.4086 C.2 1 noname 0.0475 5 C4 -0.3496 0.3941 3.3200 C.2 1 noname 0.0393 6 C5 -1.0201 1.5123 3.8456 C.2 1 noname 0.0537 7 C6 -0.2846 2.5557 4.4622 C.2 1 noname 0.0434 8 C7 1.1175 2.4833 4.5247 C.2 1 noname 0.0373 9 N1 -0.9601 3.6154 4.9756 N.2 1 noname -0.2386 10 C8 -2.3120 3.7069 4.9255 C.2 1 noname 0.0167 11 C9 -3.0515 2.6687 4.3175 C.2 1 noname 0.0291 12 N2 -2.3723 1.6154 3.7918 N.2 1 noname -0.2359 13 C10 -4.4575 2.6892 4.2519 C.2 1 noname -0.0288 14 C11 -5.1147 2.6194 3.0024 C.2 1 noname -0.0324 15 C12 -6.5196 2.6742 2.9377 C.2 1 noname -0.0526 16 C13 -7.2790 2.7773 4.1177 C.2 1 noname -0.0504 17 C14 -6.6317 2.8184 5.3662 C.2 1 noname -0.0526 18 C15 -5.2268 2.7749 5.4355 C.2 1 noname -0.0324 19 O2 1.6970 -0.8049 2.9308 O.3 1 noname -0.2648 20 C16 1.8776 -1.8191 3.9386 C.3 1 noname 0.0424 21 H1 4.0752 1.1442 2.1384 H 1 noname 0.0535 22 H2 2.9979 2.5507 2.3096 H 1 noname 0.0535 23 H3 4.5937 2.5507 3.0982 H 1 noname 0.0535 24 H4 -0.9189 -0.4043 2.8440 H 1 noname 0.0674 25 H5 1.6807 3.2841 5.0040 H 1 noname 0.0674 26 H6 -2.7886 4.5858 5.3596 H 1 noname 0.0862 27 H7 -4.5352 2.5228 2.0843 H 1 noname 0.0629 28 H8 -7.0211 2.6368 1.9706 H 1 noname 0.0622 29 H9 -8.3666 2.8251 4.0647 H 1 noname 0.0622 30 H10 -7.2199 2.8842 6.2816 H 1 noname 0.0622 31 H11 -4.7339 2.8075 6.4072 H 1 noname 0.0629 32 H12 1.7971 -1.3672 4.9273 H 1 noname 0.0535 33 H13 1.1099 -2.5845 3.8254 H 1 noname 0.0535 34 H14 2.8623 -2.2725 3.8254 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 2 6 6 7 1 7 7 8 2 8 3 8 1 9 7 9 1 10 9 10 2 11 10 11 1 12 11 12 2 13 6 12 1 14 11 13 1 15 13 14 2 16 14 15 1 17 15 16 2 18 16 17 1 19 17 18 2 20 13 18 1 21 4 19 1 22 19 20 1 23 1 21 1 24 1 22 1 25 1 23 1 26 5 24 1 27 8 25 1 28 10 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 17 30 1 33 18 31 1 34 20 32 1 35 20 33 1 36 20 34 1 @SUBSTRUCTURE 1 noname 1