@MOLECULE 57349699 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 0.2445 -1.9213 2.7999 O.3 1 noname -0.2138 2 O2 0.1778 -0.0049 1.8008 O.2 1 noname -0.2493 3 O3 3.4134 0.8575 -3.0783 O.3 1 noname -0.2861 4 O4 -3.0868 -4.0473 2.3337 O.2 1 noname -0.2912 5 N1 -2.0111 -2.4948 1.2111 N.3 1 noname -0.0666 6 N2 0.4029 -4.5005 1.4410 N.3 1 noname -0.3229 7 C1 -0.9100 -1.8347 0.5866 C.3 1 noname 0.1040 8 C2 -1.3556 -0.8421 -0.5318 C.3 1 noname -0.0024 9 C3 -0.1677 -0.3659 -1.2915 C.2 1 noname -0.0660 10 C4 -0.1356 -1.2093 1.7148 C.2 1 noname 0.1442 11 C5 0.4203 -1.1441 -2.3182 C.2 1 noname -0.0475 12 C6 0.4558 0.8400 -0.9058 C.2 1 noname -0.0475 13 C7 -2.0083 -3.7421 1.7899 C.2 1 noname 0.0478 14 C8 1.6155 -0.7210 -2.9385 C.2 1 noname -0.0312 15 C9 1.6906 1.2209 -1.4641 C.2 1 noname -0.0312 16 C10 2.2532 0.4565 -2.5021 C.2 1 noname -0.0019 17 C11 -0.9555 -4.7686 1.8993 C.3 1 noname 0.0675 18 H1 -0.3105 -2.5885 0.0853 H 1 noname 0.0581 19 H2 -2.0436 -1.3453 -1.2112 H 1 noname 0.0337 20 H3 -1.8471 -0.0176 -0.0153 H 1 noname 0.0337 21 H4 -2.8363 -1.9701 1.2735 H 1 noname 0.1319 22 H5 0.0183 -2.0317 -2.6025 H 1 noname 0.0626 23 H6 0.0541 1.4290 -0.1733 H 1 noname 0.0626 24 H7 2.0334 -1.2797 -3.6848 H 1 noname 0.0650 25 H8 2.1848 2.0317 -1.1012 H 1 noname 0.0650 26 H9 -1.3100 -5.7009 1.4597 H 1 noname 0.0522 27 H10 -0.9104 -5.0249 2.9578 H 1 noname 0.0522 28 H11 0.7920 -1.5292 3.5055 H 1 noname 0.2213 29 H12 0.9847 -5.3259 1.5986 H 1 noname 0.1188 30 H13 0.3884 -4.2794 0.4433 H 1 noname 0.1188 31 H14 3.6689 0.2194 -3.7768 H 1 noname 0.2181 @BOND 1 1 10 1 2 1 28 1 3 2 10 2 4 3 16 1 5 3 31 1 6 4 13 2 7 7 5 1 8 5 13 1 9 5 21 1 10 6 17 1 11 6 29 1 12 6 30 1 13 7 8 1 14 7 10 1 15 7 18 1 16 8 9 1 17 8 19 1 18 8 20 1 19 9 11 2 20 9 12 1 21 11 14 1 22 11 22 1 23 12 15 2 24 12 23 1 25 13 17 1 26 14 16 2 27 14 24 1 28 15 16 1 29 15 25 1 30 17 26 1 31 17 27 1 @SUBSTRUCTURE 1 noname 1