@MOLECULE 72941446 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 -4.1932 4.1736 -0.2084 O.3 1 noname -0.2189 2 O2 -4.7222 2.0117 0.1363 O.2 1 noname -0.2559 3 C1 0.7694 -1.3088 0.4065 C.3 1 noname -0.0533 4 C2 -0.7081 -0.9116 0.4080 C.3 1 noname -0.0533 5 C3 0.8922 -2.8178 0.6269 C.3 1 noname -0.0530 6 C4 -0.8308 0.5974 0.1875 C.3 1 noname -0.0528 7 C5 2.3697 -3.2150 0.6255 C.3 1 noname -0.0498 8 C6 -2.3084 0.9946 0.1890 C.3 1 noname -0.0439 9 C7 2.4924 -4.7240 0.8459 C.3 1 noname -0.0353 10 C8 -2.4311 2.5036 -0.0314 C.3 1 noname 0.0335 11 C9 3.8734 -5.0952 0.8445 C.2 1 noname -0.0956 12 C10 -3.8411 2.8826 -0.0300 C.2 1 noname 0.1348 13 C11 4.2203 -6.3671 1.0203 C.2 1 noname -0.0991 14 H1 1.2159 -1.0441 -0.5520 H 1 noname 0.0266 15 H2 1.2882 -0.7813 1.2070 H 1 noname 0.0266 16 H3 -1.2269 -1.4391 -0.3925 H 1 noname 0.0266 17 H4 -1.1546 -1.1763 1.3665 H 1 noname 0.0266 18 H5 0.3734 -3.3453 -0.1735 H 1 noname 0.0267 19 H6 0.4457 -3.0825 1.5854 H 1 noname 0.0267 20 H7 -0.3844 0.8621 -0.7710 H 1 noname 0.0267 21 H8 -0.3121 1.1249 0.9880 H 1 noname 0.0267 22 H9 2.8161 -2.9503 -0.3330 H 1 noname 0.0270 23 H10 2.8885 -2.6875 1.4259 H 1 noname 0.0270 24 H11 -2.8272 0.4671 -0.6115 H 1 noname 0.0272 25 H12 -2.7548 0.7299 1.1475 H 1 noname 0.0272 26 H13 1.9736 -5.2515 0.0454 H 1 noname 0.0309 27 H14 2.0460 -4.9887 1.8044 H 1 noname 0.0309 28 H15 -1.9847 2.7683 -0.9899 H 1 noname 0.0372 29 H16 -1.9123 3.0311 0.7690 H 1 noname 0.0372 30 H17 4.5713 -4.4054 0.7128 H 1 noname 0.0569 31 H18 3.5225 -7.0568 1.1520 H 1 noname 0.0534 32 H19 5.1764 -6.6240 1.0194 H 1 noname 0.0534 33 H20 -5.0127 4.5193 0.2030 H 1 noname 0.2213 @BOND 1 1 12 1 2 1 33 1 3 2 12 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 11 13 2 30 11 30 1 31 13 31 1 32 13 32 1 @SUBSTRUCTURE 1 noname 1