@MOLECULE 91864506 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -2.1598 1.9424 -3.0648 O.3 1 noname -0.2847 2 O2 -1.1178 -4.5364 -0.6863 O.3 1 noname -0.2194 3 O3 -1.2729 6.5433 -3.3583 O.2 1 noname -0.2999 4 O4 -0.0920 -4.5560 1.3186 O.2 1 noname -0.2603 5 N1 -1.2383 0.6529 -1.2342 N.3 1 noname -0.0258 6 N2 0.5384 1.4617 -0.1759 N.3 1 noname -0.0239 7 C1 -0.6637 -0.3460 -0.5900 C.2 1 noname -0.0134 8 C2 0.4862 0.1593 0.0530 C.2 1 noname -0.0065 9 C3 -0.4758 1.7187 -0.9999 C.2 1 noname -0.1113 10 C4 -0.6798 2.9096 -1.5689 C.2 1 noname -0.0067 11 C5 -1.0351 -1.7124 -0.5315 C.2 1 noname -0.0050 12 C6 1.3754 -0.6698 0.7823 C.2 1 noname -0.0418 13 C7 -0.1545 -2.5592 0.2046 C.2 1 noname -0.0294 14 C8 1.0246 -2.0517 0.8415 C.2 1 noname -0.0279 15 C9 -1.5281 3.0194 -2.6364 C.2 1 noname 0.0006 16 C10 -0.0244 4.0166 -1.1067 C.2 1 noname 0.0009 17 C11 -1.7385 4.1914 -3.2633 C.2 1 noname 0.0625 18 C12 -0.2014 5.2312 -1.6587 C.2 1 noname 0.0327 19 C13 -1.0893 5.4329 -2.8144 C.2 1 noname 0.0800 20 C14 -0.4481 -3.9140 0.3069 C.2 1 noname 0.0787 21 H1 -2.1252 0.8039 -0.8717 H 1 noname 0.1352 22 H2 1.3752 1.6794 -0.6154 H 1 noname 0.1352 23 H3 -1.8767 -2.0669 -0.9858 H 1 noname 0.0648 24 H4 2.2120 -0.3022 1.2354 H 1 noname 0.0640 25 H5 1.6296 -2.6958 1.3510 H 1 noname 0.0631 26 H6 0.5990 3.9220 -0.3434 H 1 noname 0.0632 27 H7 -2.3448 4.2188 -4.0454 H 1 noname 0.0691 28 H8 0.2781 6.0089 -1.2773 H 1 noname 0.0663 29 H9 -2.7262 2.1783 -3.8289 H 1 noname 0.2182 30 H10 -1.6976 -5.2999 -0.4830 H 1 noname 0.2216 @BOND 1 1 15 1 2 1 29 1 3 2 20 1 4 2 30 1 5 3 19 2 6 4 20 2 7 5 7 1 8 5 9 1 9 5 21 1 10 6 8 1 11 6 9 1 12 6 22 1 13 7 8 2 14 7 11 1 15 8 12 1 16 9 10 2 17 10 15 1 18 10 16 1 19 11 13 2 20 11 23 1 21 12 14 2 22 12 24 1 23 13 14 1 24 13 20 1 25 14 25 1 26 15 17 2 27 16 18 2 28 16 26 1 29 17 19 1 30 17 27 1 31 18 19 1 32 18 28 1 @SUBSTRUCTURE 1 noname 1