@MOLECULE 90473403 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 3.8415 -2.6544 -0.5384 O.3 1 noname -0.2173 2 O2 3.9674 -0.8567 0.8124 O.2 1 noname -0.2538 3 C1 2.2151 -0.8561 -0.7524 C.3 1 noname 0.0505 4 C2 1.9124 0.4916 -0.0944 C.3 1 noname -0.0387 5 C3 0.6851 1.1191 -0.7584 C.3 1 noname -0.0523 6 C4 0.3823 2.4668 -0.1005 C.3 1 noname -0.0533 7 C5 1.0126 -1.7871 -0.5846 C.3 1 noname -0.0505 8 C6 2.4931 -0.6453 -2.2421 C.3 1 noname -0.0505 9 C7 -0.8450 3.0943 -0.7645 C.3 1 noname -0.0535 10 C8 3.3863 -1.4548 -0.1187 C.2 1 noname 0.1378 11 C9 -1.1477 4.4420 -0.1065 C.3 1 noname -0.0561 12 C10 -2.3750 5.0695 -0.7706 C.3 1 noname -0.0654 13 H1 1.7143 0.3415 0.9669 H 1 noname 0.0277 14 H2 2.7691 1.1549 -0.2139 H 1 noname 0.0277 15 H3 -0.1716 0.4559 -0.6389 H 1 noname 0.0267 16 H4 0.8831 1.2692 -1.8197 H 1 noname 0.0267 17 H5 0.1843 2.3167 0.9608 H 1 noname 0.0266 18 H6 1.2390 3.1301 -0.2200 H 1 noname 0.0266 19 H7 1.2283 -2.7472 -1.0534 H 1 noname 0.0241 20 H8 0.1383 -1.3400 -1.0577 H 1 noname 0.0241 21 H9 0.8146 -1.9372 0.4766 H 1 noname 0.0241 22 H10 2.7087 -1.6055 -2.7108 H 1 noname 0.0241 23 H11 1.6187 -0.1983 -2.7151 H 1 noname 0.0241 24 H12 3.3498 0.0179 -2.3616 H 1 noname 0.0241 25 H13 -1.7017 2.4310 -0.6450 H 1 noname 0.0266 26 H14 -0.6469 3.2444 -1.8258 H 1 noname 0.0266 27 H15 -1.3457 4.2919 0.9548 H 1 noname 0.0264 28 H16 -0.2910 5.1053 -0.2260 H 1 noname 0.0264 29 H17 -2.5907 6.0296 -0.3018 H 1 noname 0.0230 30 H18 -3.2317 4.4062 -0.6511 H 1 noname 0.0230 31 H19 -2.1770 5.2196 -1.8319 H 1 noname 0.0230 32 H20 4.2930 -3.2548 0.0910 H 1 noname 0.2213 @BOND 1 1 10 1 2 1 32 1 3 2 10 2 4 3 4 1 5 3 7 1 6 3 8 1 7 3 10 1 8 4 5 1 9 4 13 1 10 4 14 1 11 5 6 1 12 5 15 1 13 5 16 1 14 6 9 1 15 6 17 1 16 6 18 1 17 7 19 1 18 7 20 1 19 7 21 1 20 8 22 1 21 8 23 1 22 8 24 1 23 9 11 1 24 9 25 1 25 9 26 1 26 11 12 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1 @SUBSTRUCTURE 1 noname 1