@MOLECULE 71587436 31 30 1 SMALL USER_CHARGES @ATOM 1 O1 5.6687 -4.2663 -0.2190 O.3 1 noname -0.2189 2 O2 6.2621 -2.1185 0.1086 O.2 1 noname -0.2559 3 C1 2.3352 0.9181 0.4093 C.3 1 noname -0.0533 4 C2 0.8695 1.3567 0.4220 C.3 1 noname -0.0532 5 C3 2.4130 -0.5949 0.1954 C.3 1 noname -0.0528 6 C4 0.7918 2.8697 0.6359 C.3 1 noname -0.0524 7 C5 3.8787 -1.0335 0.1826 C.3 1 noname -0.0439 8 C6 -0.6739 3.3083 0.6487 C.3 1 noname -0.0423 9 C7 3.9564 -2.5465 -0.0313 C.3 1 noname 0.0335 10 C8 -0.7517 4.8213 0.8626 C.3 1 noname 0.0086 11 C9 5.3551 -2.9651 -0.0435 C.2 1 noname 0.1348 12 C10 -2.0564 5.2118 0.8740 C.1 1 noname -0.1112 13 C11 -3.2003 5.5541 0.8839 C.1 1 noname -0.1154 14 H1 2.7996 1.1748 1.3614 H 1 noname 0.0266 15 H2 2.8597 1.4268 -0.3996 H 1 noname 0.0266 16 H3 0.3450 0.8480 1.2309 H 1 noname 0.0266 17 H4 0.4051 1.1001 -0.5301 H 1 noname 0.0266 18 H5 1.8885 -1.1036 1.0042 H 1 noname 0.0267 19 H6 1.9486 -0.8515 -0.7568 H 1 noname 0.0267 20 H7 1.2562 3.1264 1.5881 H 1 noname 0.0267 21 H8 1.3162 3.3784 -0.1729 H 1 noname 0.0267 22 H9 4.3430 -0.7768 1.1347 H 1 noname 0.0272 23 H10 4.4031 -0.5248 -0.6263 H 1 noname 0.0272 24 H11 -1.1984 2.7996 1.4576 H 1 noname 0.0276 25 H12 -1.1383 3.0517 -0.3034 H 1 noname 0.0276 26 H13 3.4319 -3.0552 0.7776 H 1 noname 0.0372 27 H14 3.4920 -2.8032 -0.9834 H 1 noname 0.0372 28 H15 -0.2873 5.0780 1.8148 H 1 noname 0.0402 29 H16 -0.2272 5.3300 0.0537 H 1 noname 0.0402 30 H17 -4.0835 5.8184 0.8916 H 1 noname 0.1237 31 H18 6.4827 -4.6330 0.1852 H 1 noname 0.2213 @BOND 1 1 11 1 2 1 31 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 14 1 7 3 15 1 8 4 6 1 9 4 16 1 10 4 17 1 11 5 7 1 12 5 18 1 13 5 19 1 14 6 8 1 15 6 20 1 16 6 21 1 17 7 9 1 18 7 22 1 19 7 23 1 20 8 10 1 21 8 24 1 22 8 25 1 23 9 11 1 24 9 26 1 25 9 27 1 26 10 12 1 27 10 28 1 28 10 29 1 29 12 13 3 30 13 30 1 @SUBSTRUCTURE 1 noname 1