@MOLECULE DB01399 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3567 -1.4195 -1.6570 O.2 1 noname -0.2518 2 C1 -0.9437 -0.9474 -0.5758 C.2 1 noname 0.1125 3 O2 -1.5868 -1.2349 0.5758 O.3 1 noname -0.1414 4 C2 0.1778 -0.1263 -0.5592 C.2 1 noname 0.0203 5 C3 -2.6760 -2.0323 0.5597 C.2 1 noname 0.0545 6 C4 1.0027 -0.0990 0.5592 C.2 1 noname 0.0483 7 C5 0.4745 0.6673 -1.6611 C.2 1 noname 0.0021 8 C6 -3.3382 -2.3283 1.7454 C.2 1 noname 0.0348 9 C7 -3.1353 -2.5572 -0.6426 C.2 1 noname -0.0021 10 O3 0.7146 -0.8698 1.6294 O.3 1 noname -0.2762 11 C8 2.1242 0.7220 0.5758 C.2 1 noname -0.0159 12 C9 1.5960 1.4883 -1.6446 C.2 1 noname -0.0560 13 C10 -2.8789 -1.8033 2.9478 C.2 1 noname 0.0958 14 C11 -4.4597 -3.1493 1.7289 C.2 1 noname 0.0036 15 C12 -4.2568 -3.3783 -0.6592 C.2 1 noname -0.0259 16 C13 2.4208 1.5157 -0.5261 C.2 1 noname -0.0271 17 O4 -3.4744 -2.0696 4.0141 O.2 1 noname -0.2568 18 O5 -1.7897 -1.0059 2.9638 O.3 1 noname -0.2172 19 C14 -4.9190 -3.6743 0.5266 C.2 1 noname -0.0466 20 H1 -0.1724 0.6459 -2.5382 H 1 noname 0.0632 21 H2 -2.6161 -2.3251 -1.5724 H 1 noname 0.0650 22 H3 0.7806 -1.7956 1.3841 H 1 noname 0.2182 23 H4 2.7710 0.7435 1.4529 H 1 noname 0.0650 24 H5 1.8286 2.1107 -2.5087 H 1 noname 0.0622 25 H6 -4.9790 -3.3815 2.6587 H 1 noname 0.0632 26 H7 -4.6170 -3.7899 -1.6020 H 1 noname 0.0623 27 H8 3.3003 2.1595 -0.5131 H 1 noname 0.0623 28 H9 -1.5402 -0.8233 3.8727 H 1 noname 0.2216 29 H10 -5.7985 -4.3181 0.5136 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 6 11 1 11 7 12 2 12 8 13 1 13 8 14 1 14 9 15 2 15 11 16 2 16 12 16 1 17 13 17 2 18 13 18 1 19 14 19 2 20 15 19 1 21 7 20 1 22 9 21 1 23 10 22 1 24 11 23 1 25 12 24 1 26 14 25 1 27 15 26 1 28 16 27 1 29 18 28 1 30 19 29 1 @SUBSTRUCTURE 1 noname 1