@MOLECULE 86278205 24 24 1 SMALL USER_CHARGES @ATOM 1 O1 2.3317 -1.0412 -0.2125 O.3 1 noname -0.1421 2 O2 2.2497 3.0886 -0.3437 O.3 1 noname -0.2172 3 O3 3.6618 1.3616 -0.5050 O.2 1 noname -0.2568 4 O4 3.2799 -2.7251 0.9724 O.2 1 noname -0.2509 5 C1 0.4040 -1.1751 -1.7595 C.2 1 noname -0.0013 6 C2 1.3963 -0.4363 -1.0491 C.2 1 noname 0.0449 7 C3 1.4402 0.9767 -1.1627 C.2 1 noname 0.0313 8 C4 -0.6723 -0.4852 -2.3618 C.2 1 noname -0.0331 9 C5 0.4009 1.6361 -1.8721 C.2 1 noname -0.0074 10 C6 0.4175 -2.6491 -1.9538 C.3 1 noname 0.0123 11 C7 -0.6582 0.9136 -2.4401 C.2 1 noname -0.0494 12 C8 2.4816 1.7821 -0.6355 C.2 1 noname 0.0956 13 C9 2.2294 -2.0953 0.6789 C.2 1 noname 0.1573 14 C10 0.9527 -2.4983 1.3249 C.3 1 noname 0.0224 15 H1 -1.4780 -0.9869 -2.7500 H 1 noname 0.0626 16 H2 0.3962 2.6599 -2.0159 H 1 noname 0.0632 17 H3 1.3277 -3.1323 -1.5988 H 1 noname 0.0280 18 H4 -0.4459 -3.0892 -1.4549 H 1 noname 0.0280 19 H5 0.2501 -2.8536 -3.0113 H 1 noname 0.0280 20 H6 -1.4034 1.3793 -2.9545 H 1 noname 0.0622 21 H7 0.7191 -3.5286 1.0565 H 1 noname 0.0336 22 H8 0.1507 -1.8434 0.9846 H 1 noname 0.0336 23 H9 1.0523 -2.4186 2.4074 H 1 noname 0.0336 24 H10 2.9902 3.7074 -0.1523 H 1 noname 0.2216 @BOND 1 1 6 1 2 1 13 1 3 2 12 1 4 2 24 1 5 3 12 2 6 4 13 2 7 5 6 2 8 5 8 1 9 5 10 1 10 6 7 1 11 7 9 2 12 7 12 1 13 8 11 2 14 8 15 1 15 9 11 1 16 9 16 1 17 10 17 1 18 10 18 1 19 10 19 1 20 11 20 1 21 13 14 1 22 14 21 1 23 14 22 1 24 14 23 1 @SUBSTRUCTURE 1 noname 1