@MOLECULE 119026137 29 28 1 SMALL USER_CHARGES @ATOM 1 P1 2.1102 -1.5643 -0.5690 P 1 noname 0.0000 2 F1 -4.2793 3.7491 1.0480 F 1 noname 0.0000 3 O1 1.4041 -0.2121 -0.7800 O.3 1 noname 0.0000 4 O2 3.3957 -1.6098 -1.4157 O.3 1 noname 0.0000 5 O3 2.4699 -1.7288 0.9194 O.3 1 noname 0.0000 6 O4 1.2322 -2.6323 -0.9715 O.2 1 noname 0.0000 7 N1 -1.7032 1.2164 0.5950 N.3 1 noname 0.0000 8 C1 -0.4828 1.1733 -0.2089 C.3 1 noname 0.0000 9 C2 -2.3735 2.5001 0.3946 C.3 1 noname 0.0000 10 C3 -1.3618 1.0603 2.0079 C.3 1 noname 0.0000 11 C4 -2.5946 0.1321 0.1862 C.3 1 noname 0.0000 12 C5 0.2188 -0.1702 0.0008 C.3 1 noname 0.0000 13 C6 -3.6507 2.5453 1.2359 C.3 1 noname 0.0000 14 H1 -0.7373 1.2897 -1.2624 H 1 noname 0.0000 15 H2 0.1818 1.9817 0.0958 H 1 noname 0.0000 16 H3 -2.6281 2.6166 -0.6589 H 1 noname 0.0000 17 H4 -1.7089 3.3086 0.6993 H 1 noname 0.0000 18 H5 -2.2716 1.0925 2.6073 H 1 noname 0.0000 19 H6 -0.8620 0.1032 2.1573 H 1 noname 0.0000 20 H7 -0.6972 1.8687 2.3127 H 1 noname 0.0000 21 H8 -3.5045 0.1643 0.7856 H 1 noname 0.0000 22 H9 -2.8491 0.2486 -0.8672 H 1 noname 0.0000 23 H10 -2.0948 -0.8250 0.3356 H 1 noname 0.0000 24 H11 -0.4458 -0.9786 -0.3040 H 1 noname 0.0000 25 H12 0.4733 -0.2866 1.0542 H 1 noname 0.0000 26 H13 -4.3153 1.7369 0.9311 H 1 noname 0.0000 27 H14 -3.3962 2.4289 2.2893 H 1 noname 0.0000 28 H15 3.9933 -0.8829 -1.1418 H 1 noname 0.0000 29 H16 3.0674 -1.0020 1.1934 H 1 noname 0.0000 @BOND 1 1 3 1 2 1 4 1 3 1 5 1 4 1 6 2 5 2 13 1 6 3 12 1 7 4 28 1 8 5 29 1 9 7 8 1 10 7 9 1 11 7 10 1 12 7 11 1 13 8 12 1 14 8 14 1 15 8 15 1 16 9 13 1 17 9 16 1 18 9 17 1 19 10 18 1 20 10 19 1 21 10 20 1 22 11 21 1 23 11 22 1 24 11 23 1 25 12 24 1 26 12 25 1 27 13 26 1 28 13 27 1 @SUBSTRUCTURE 1 noname 1