@MOLECULE 92256272 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 3.4827 -1.1812 -0.3293 O.3 1 noname -0.3743 2 C1 2.1612 -1.0570 -0.8340 C.3 1 noname 0.0832 3 C2 1.4634 0.1215 -0.1520 C.3 1 noname -0.0170 4 C3 0.0396 0.2552 -0.6957 C.3 1 noname -0.0318 5 C4 1.3838 -2.3438 -0.5498 C.3 1 noname -0.0321 6 C5 2.2091 -0.8308 -2.2451 C.2 1 noname -0.0742 7 C6 -0.6126 1.3567 -0.0583 C.2 1 noname -0.0838 8 C7 -1.8671 1.6621 -0.3775 C.2 1 noname -0.0822 9 C8 4.1303 -2.2749 -0.9623 C.3 1 noname 0.0367 10 C9 2.8385 0.2374 -2.7264 C.2 1 noname -0.0863 11 C10 -2.5192 2.7636 0.2599 C.3 1 noname -0.0442 12 C11 -2.5637 0.8889 -1.3582 C.3 1 noname -0.0442 13 H1 1.4269 -0.0509 0.9237 H 1 noname 0.0302 14 H2 2.0172 1.0382 -0.3544 H 1 noname 0.0302 15 H3 -0.5143 -0.6615 -0.4933 H 1 noname 0.0311 16 H4 0.0761 0.4277 -1.7714 H 1 noname 0.0311 17 H5 0.3694 -2.2485 -0.9372 H 1 noname 0.0263 18 H6 1.3472 -2.5162 0.5258 H 1 noname 0.0263 19 H7 1.8809 -3.1834 -1.0357 H 1 noname 0.0263 20 H8 1.7738 -1.4694 -2.8639 H 1 noname 0.0599 21 H9 -0.1303 1.8920 0.6207 H 1 noname 0.0575 22 H10 5.1446 -2.3702 -0.5749 H 1 noname 0.0530 23 H11 3.5764 -3.1917 -0.7599 H 1 noname 0.0530 24 H12 4.1668 -2.1025 -2.0379 H 1 noname 0.0530 25 H13 3.2738 0.8760 -2.1076 H 1 noname 0.0535 26 H14 2.8717 0.3940 -3.7034 H 1 noname 0.0535 27 H15 -3.0258 2.4146 1.1597 H 1 noname 0.0276 28 H16 -3.2495 3.1980 -0.4228 H 1 noname 0.0276 29 H17 -1.7795 3.5177 0.5286 H 1 noname 0.0276 30 H18 -3.4510 0.4445 -0.9074 H 1 noname 0.0276 31 H19 -2.8607 1.5336 -2.1854 H 1 noname 0.0276 32 H20 -1.9105 0.0992 -1.7295 H 1 noname 0.0276 @BOND 1 2 1 1 2 1 9 1 3 2 3 1 4 2 5 1 5 2 6 1 6 3 4 1 7 3 13 1 8 3 14 1 9 4 7 1 10 4 15 1 11 4 16 1 12 5 17 1 13 5 18 1 14 5 19 1 15 6 10 2 16 6 20 1 17 7 8 2 18 7 21 1 19 8 11 1 20 8 12 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1