@MOLECULE 71568799 26 26 1 SMALL USER_CHARGES @ATOM 1 F1 1.8932 3.7764 -0.2079 F 1 noname -0.1569 2 O1 3.4209 1.5332 -0.3080 O.3 1 noname -0.2718 3 N1 -1.5652 -2.9259 -0.7962 N.2 1 noname -0.2642 4 N2 -2.5768 -4.7228 -1.6677 N.3 1 noname -0.1342 5 N3 -1.8802 -3.0314 -3.0102 N.3 1 noname -0.1342 6 C1 -0.5322 -1.1663 0.4166 C.3 1 noname 0.0181 7 C2 0.1069 0.1360 0.2521 C.2 1 noname -0.0503 8 C3 -0.9633 -1.6993 -0.9512 C.3 1 noname 0.0459 9 C4 1.4794 0.2158 0.0474 C.2 1 noname -0.0187 10 C5 -0.6572 1.2961 0.3000 C.2 1 noname -0.0589 11 C6 2.0879 1.4557 -0.1092 C.2 1 noname 0.0449 12 C7 -0.0488 2.5361 0.1433 C.2 1 noname -0.0020 13 C8 1.3237 2.6158 -0.0613 C.2 1 noname 0.0376 14 C9 -2.0034 -3.5543 -1.8154 C.2 1 noname -0.1444 15 H1 -1.4070 -1.0633 1.0586 H 1 noname 0.0335 16 H2 0.1727 -1.8620 0.8719 H 1 noname 0.0335 17 H3 -1.6682 -1.0037 -1.4065 H 1 noname 0.0518 18 H4 -0.0885 -1.8024 -1.5932 H 1 noname 0.0518 19 H5 2.0402 -0.6355 0.0123 H 1 noname 0.0654 20 H6 -1.6644 1.2376 0.4502 H 1 noname 0.0626 21 H7 -0.6095 3.3874 0.1785 H 1 noname 0.0654 22 H8 3.8032 0.6309 -0.3143 H 1 noname 0.2183 23 H9 -2.8502 -5.0607 -2.5349 H 1 noname 0.1267 24 H10 -3.3553 -4.6311 -1.0964 H 1 noname 0.1267 25 H11 -2.2624 -3.6336 -3.6676 H 1 noname 0.1267 26 H12 -2.3464 -2.1813 -3.0407 H 1 noname 0.1267 @BOND 1 1 13 1 2 2 11 1 3 2 22 1 4 3 8 1 5 3 14 2 6 4 14 1 7 4 23 1 8 4 24 1 9 5 14 1 10 5 25 1 11 5 26 1 12 6 7 1 13 6 8 1 14 6 15 1 15 6 16 1 16 7 9 2 17 7 10 1 18 8 17 1 19 8 18 1 20 9 11 1 21 9 19 1 22 10 12 2 23 10 20 1 24 11 13 2 25 12 13 1 26 12 21 1 @SUBSTRUCTURE 1 noname 1