@MOLECULE 57524242 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 -4.1387 4.2663 -0.2190 O.3 1 noname -0.2189 2 O2 -4.7321 2.1185 0.1086 O.2 1 noname -0.2559 3 C1 0.6605 -1.3567 0.4220 C.3 1 noname -0.0533 4 C2 -0.8052 -0.9181 0.4093 C.3 1 noname -0.0533 5 C3 0.7382 -2.8697 0.6359 C.3 1 noname -0.0533 6 C4 -0.8830 0.5949 0.1954 C.3 1 noname -0.0528 7 C5 2.2039 -3.3083 0.6487 C.3 1 noname -0.0535 8 C6 -2.3487 1.0335 0.1826 C.3 1 noname -0.0439 9 C7 2.2817 -4.8213 0.8626 C.3 1 noname -0.0561 10 C8 -2.4264 2.5465 -0.0313 C.3 1 noname 0.0335 11 C9 3.7474 -5.2600 0.8754 C.3 1 noname -0.0654 12 C10 -3.8251 2.9651 -0.0435 C.2 1 noname 0.1348 13 H1 1.1249 -1.1001 -0.5301 H 1 noname 0.0266 14 H2 1.1850 -0.8480 1.2309 H 1 noname 0.0266 15 H3 -1.3297 -1.4268 -0.3996 H 1 noname 0.0266 16 H4 -1.2696 -1.1748 1.3614 H 1 noname 0.0266 17 H5 0.2138 -3.3784 -0.1729 H 1 noname 0.0266 18 H6 0.2738 -3.1264 1.5881 H 1 noname 0.0266 19 H7 -0.4186 0.8515 -0.7568 H 1 noname 0.0267 20 H8 -0.3585 1.1036 1.0042 H 1 noname 0.0267 21 H9 2.6683 -3.0517 -0.3034 H 1 noname 0.0266 22 H10 2.7284 -2.7996 1.4576 H 1 noname 0.0266 23 H11 -2.8731 0.5248 -0.6263 H 1 noname 0.0272 24 H12 -2.8130 0.7768 1.1347 H 1 noname 0.0272 25 H13 1.7572 -5.3300 0.0537 H 1 noname 0.0264 26 H14 1.8173 -5.0780 1.8148 H 1 noname 0.0264 27 H15 -1.9620 2.8032 -0.9834 H 1 noname 0.0372 28 H16 -1.9019 3.0552 0.7776 H 1 noname 0.0372 29 H17 3.8028 -6.3378 1.0278 H 1 noname 0.0230 30 H18 4.2118 -5.0033 -0.0768 H 1 noname 0.0230 31 H19 4.2718 -4.7512 1.6842 H 1 noname 0.0230 32 H20 -4.9527 4.6330 0.1852 H 1 noname 0.2213 @BOND 1 1 12 1 2 1 32 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 13 1 7 3 14 1 8 4 6 1 9 4 15 1 10 4 16 1 11 5 7 1 12 5 17 1 13 5 18 1 14 6 8 1 15 6 19 1 16 6 20 1 17 7 9 1 18 7 21 1 19 7 22 1 20 8 10 1 21 8 23 1 22 8 24 1 23 9 11 1 24 9 25 1 25 9 26 1 26 10 12 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 11 31 1 @SUBSTRUCTURE 1 noname 1