@MOLECULE DB04208 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -2.9901 -0.2924 3.6853 O.2 1 noname -0.2558 2 C1 -2.4180 -0.7544 2.6745 C.2 1 noname 0.1349 3 O2 -2.6105 -2.0426 2.3197 O.3 1 noname -0.2188 4 C2 -1.5416 0.0991 1.8776 C.3 1 noname 0.0375 5 C3 -0.9730 -0.7053 0.7069 C.3 1 noname -0.0184 6 C4 -0.0966 0.1482 -0.0900 C.2 1 noname -0.0569 7 C5 1.2581 0.2270 0.2111 C.2 1 noname -0.0180 8 C6 -0.6170 0.8820 -1.1496 C.2 1 noname -0.0591 9 C7 2.0925 1.0396 -0.5476 C.2 1 noname 0.0262 10 C8 0.2174 1.6946 -1.9083 C.2 1 noname -0.0212 11 O3 3.4082 1.1161 -0.2553 O.3 1 noname -0.2672 12 C9 1.5722 1.7734 -1.6073 C.2 1 noname 0.0250 13 C10 3.6260 2.1662 0.6754 C.3 1 noname 0.0424 14 O4 2.3826 2.5626 -2.3441 O.3 1 noname -0.2673 15 C11 2.9102 1.8160 -3.4307 C.3 1 noname 0.0424 16 H1 -2.6913 -2.5833 3.1088 H 1 noname 0.2213 17 H2 -2.1796 0.8791 1.4621 H 1 noname 0.0376 18 H3 -0.7093 0.3654 2.5291 H 1 noname 0.0376 19 H4 -0.3350 -1.4853 1.1225 H 1 noname 0.0321 20 H5 -1.8054 -0.9716 0.0555 H 1 noname 0.0321 21 H6 1.6661 -0.3484 1.0420 H 1 noname 0.0654 22 H7 -1.6793 0.8202 -1.3857 H 1 noname 0.0626 23 H8 -0.1906 2.2700 -2.7393 H 1 noname 0.0651 24 H9 3.5450 1.7754 1.6897 H 1 noname 0.0535 25 H10 4.6216 2.5840 0.5255 H 1 noname 0.0535 26 H11 2.8787 2.9454 0.5255 H 1 noname 0.0535 27 H12 2.8092 0.7508 -3.2226 H 1 noname 0.0535 28 H13 2.3627 2.0620 -4.3405 H 1 noname 0.0535 29 H14 3.9638 2.0620 -3.5629 H 1 noname 0.0535 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 7 9 1 9 8 10 2 10 9 11 1 11 9 12 2 12 10 12 1 13 11 13 1 14 12 14 1 15 14 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 7 21 1 22 8 22 1 23 10 23 1 24 13 24 1 25 13 25 1 26 13 26 1 27 15 27 1 28 15 28 1 29 15 29 1 @SUBSTRUCTURE 1 noname 1