@MOLECULE 118577045 32 35 1 SMALL USER_CHARGES @ATOM 1 F1 2.4519 -7.2054 -0.4758 F 1 noname -0.1604 2 N1 1.3086 -0.0344 -0.0554 N.3 1 noname -0.0289 3 N2 3.5466 -1.0282 -0.2712 N.2 1 noname -0.2586 4 N3 -2.3638 -0.6509 0.1279 N.2 1 noname -0.2573 5 N4 0.6821 -5.1014 -0.2463 N.3 1 noname -0.1337 6 C1 -0.0616 0.0042 0.0330 C.2 1 noname 0.0245 7 C2 2.1669 -1.1584 -0.1727 C.2 1 noname 0.0110 8 C3 2.5387 -3.5720 -0.3223 C.2 1 noname -0.0287 9 C4 -0.5085 1.3429 0.0678 C.2 1 noname -0.0182 10 C5 1.6473 -2.4866 -0.2039 C.2 1 noname -0.0099 11 C6 3.9667 -3.3454 -0.4255 C.2 1 noname -0.0392 12 C7 1.7060 1.2740 -0.0355 C.2 1 noname -0.0946 13 C8 0.6179 2.1561 0.0341 C.2 1 noname -0.0324 14 C9 2.0021 -4.8928 -0.3447 C.2 1 noname 0.0374 15 C10 4.4766 -2.0267 -0.3915 C.2 1 noname -0.0176 16 C11 -1.0465 -1.0336 0.0767 C.2 1 noname 0.0022 17 C12 -1.8796 1.7348 0.1224 C.2 1 noname -0.0167 18 C13 4.8616 -4.4432 -0.5856 C.2 1 noname -0.0403 19 C14 2.9108 -5.9880 -0.4750 C.2 1 noname 0.0324 20 C15 4.3167 -5.7648 -0.6045 C.2 1 noname 0.0033 21 C16 -2.8063 0.6539 0.1470 C.2 1 noname -0.0277 22 H1 0.6423 -2.6490 -0.1411 H 1 noname 0.0666 23 H2 2.6805 1.5735 -0.0674 H 1 noname 0.0796 24 H3 0.6470 3.1755 0.0553 H 1 noname 0.0643 25 H4 5.4758 -1.8311 -0.4527 H 1 noname 0.0846 26 H5 -0.7802 -2.0182 0.0702 H 1 noname 0.0859 27 H6 -2.1725 2.7116 0.1422 H 1 noname 0.0645 28 H7 5.8651 -4.2898 -0.6842 H 1 noname 0.0630 29 H8 4.9426 -6.5630 -0.7123 H 1 noname 0.0654 30 H9 -3.8073 0.8474 0.1790 H 1 noname 0.0839 31 H10 0.5020 -6.0539 -0.2795 H 1 noname 0.1243 32 H11 0.2294 -4.6608 -0.9824 H 1 noname 0.1243 @BOND 1 1 19 1 2 2 6 1 3 2 7 1 4 2 12 1 5 3 7 2 6 3 15 1 7 4 16 2 8 4 21 1 9 5 14 1 10 5 31 1 11 5 32 1 12 6 9 2 13 6 16 1 14 7 10 1 15 8 10 2 16 8 11 1 17 8 14 1 18 9 13 1 19 9 17 1 20 10 22 1 21 11 15 2 22 11 18 1 23 12 13 2 24 12 23 1 25 13 24 1 26 14 19 2 27 15 25 1 28 16 26 1 29 17 21 2 30 17 27 1 31 18 20 2 32 18 28 1 33 19 20 1 34 20 29 1 35 21 30 1 @SUBSTRUCTURE 1 noname 1