@MOLECULE 57967500 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.3110 -0.1159 0.2865 O.3 1 noname -0.3810 2 C1 2.3144 -1.3265 -0.2850 C.3 1 noname -0.0209 3 C2 -2.5533 2.2650 0.7102 C.3 1 noname -0.0449 4 C3 -1.7236 0.9995 0.9361 C.3 1 noname -0.0273 5 C4 1.4847 -0.0610 -0.5109 C.3 1 noname 0.0492 6 C5 3.5790 -1.2674 -1.1442 C.3 1 noname -0.0514 7 C6 -0.4590 1.0586 0.0768 C.3 1 noname 0.0469 8 C7 2.7048 -1.4236 1.1911 C.3 1 noname -0.0603 9 C8 -3.8179 2.2059 1.5694 C.3 1 noname -0.0627 10 C9 -2.9438 2.3621 -0.7660 C.3 1 noname -0.0627 11 C10 3.1885 -1.1703 -2.6204 C.3 1 noname -0.0650 12 H1 1.7264 -2.2010 -0.5636 H 1 noname 0.0323 13 H2 -1.9653 3.1395 0.9887 H 1 noname 0.0298 14 H3 -2.3116 0.1250 0.6575 H 1 noname 0.0292 15 H4 -1.4454 0.9304 1.9877 H 1 noname 0.0292 16 H5 1.2065 0.0082 -1.5626 H 1 noname 0.0569 17 H6 2.0727 0.8135 -0.2324 H 1 noname 0.0569 18 H7 4.1700 -2.1689 -0.9833 H 1 noname 0.0267 19 H8 4.1669 -0.3929 -0.8657 H 1 noname 0.0267 20 H9 -0.7372 1.1278 -0.9748 H 1 noname 0.0566 21 H10 0.1290 1.9332 0.3554 H 1 noname 0.0566 22 H11 3.2959 -2.3251 1.3521 H 1 noname 0.0234 23 H12 1.8039 -1.4657 1.8033 H 1 noname 0.0234 24 H13 3.2928 -0.5491 1.4697 H 1 noname 0.0234 25 H14 -3.5348 3.2637 -0.9269 H 1 noname 0.0233 26 H15 -3.5317 1.4876 -1.0446 H 1 noname 0.0233 27 H16 -2.0428 2.4042 -1.3781 H 1 noname 0.0233 28 H17 -4.4089 3.1075 1.4084 H 1 noname 0.0233 29 H18 -4.4058 1.3314 1.2908 H 1 noname 0.0233 30 H19 -3.5397 2.1368 2.6210 H 1 noname 0.0233 31 H20 4.0894 -1.1282 -3.2325 H 1 noname 0.0230 32 H21 2.6005 -2.0448 -2.8990 H 1 noname 0.0230 33 H22 2.5974 -0.2687 -2.7813 H 1 noname 0.0230 @BOND 1 1 5 1 2 1 7 1 3 2 5 1 4 2 6 1 5 2 8 1 6 2 12 1 7 3 4 1 8 3 9 1 9 3 10 1 10 3 13 1 11 4 7 1 12 4 14 1 13 4 15 1 14 5 16 1 15 5 17 1 16 6 11 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 28 1 25 9 29 1 26 9 30 1 27 10 25 1 28 10 26 1 29 10 27 1 30 11 31 1 31 11 32 1 32 11 33 1 @SUBSTRUCTURE 1 noname 1