@MOLECULE 92287473 33 34 1 SMALL USER_CHARGES @ATOM 1 F1 2.0971 -1.0259 0.0422 F 1 noname -0.1624 2 O1 1.0737 4.6160 1.6689 O.3 1 noname -0.2168 3 O2 3.2907 4.6178 1.2724 O.2 1 noname -0.2533 4 O3 -3.9963 -2.6306 0.1473 O.3 1 noname -0.2757 5 O4 -2.5025 -4.9103 0.4290 O.3 1 noname -0.2757 6 C1 1.9222 3.7385 -0.5081 C.3 1 noname 0.0672 7 C2 1.2603 2.4448 -0.3679 C.2 1 noname -0.0370 8 C3 -0.0000 -0.0187 -0.1010 C.2 1 noname 0.0101 9 C4 2.0180 1.2883 -0.2250 C.2 1 noname 0.0019 10 C5 -0.1277 2.3695 -0.3773 C.2 1 noname -0.0533 11 C6 -0.6302 -1.2505 0.0325 C.2 1 noname -0.0420 12 C7 1.3879 0.0565 -0.0915 C.2 1 noname 0.0322 13 C8 -0.7578 1.1378 -0.2439 C.2 1 noname -0.0341 14 C9 3.2141 3.5558 -1.1630 C.3 1 noname -0.0490 15 C10 2.1347 4.3553 0.8759 C.2 1 noname 0.1386 16 C11 -2.0181 -1.3257 0.0230 C.2 1 noname -0.0046 17 C12 0.1276 -2.4070 0.1754 C.2 1 noname -0.0442 18 C13 -2.6483 -2.5575 0.1565 C.2 1 noname 0.0277 19 C14 -0.5026 -3.6387 0.3088 C.2 1 noname -0.0186 20 C15 -1.8905 -3.7140 0.2994 C.2 1 noname 0.0282 21 H1 1.3003 4.4015 -1.1097 H 1 noname 0.0456 22 H2 3.0365 1.3435 -0.2181 H 1 noname 0.0656 23 H3 -0.6837 3.2182 -0.4822 H 1 noname 0.0626 24 H4 -1.7763 1.0825 -0.2508 H 1 noname 0.0630 25 H5 3.7083 4.5217 -1.2677 H 1 noname 0.0242 26 H6 3.0627 3.1164 -2.1490 H 1 noname 0.0242 27 H7 3.8360 2.8929 -0.5614 H 1 noname 0.0242 28 H8 -2.5742 -0.4771 -0.0818 H 1 noname 0.0657 29 H9 1.1461 -2.3517 0.1823 H 1 noname 0.0630 30 H10 0.0535 -4.4873 0.4137 H 1 noname 0.0651 31 H11 1.1704 4.5824 2.6435 H 1 noname 0.2213 32 H12 -4.3714 -1.7317 0.0390 H 1 noname 0.2183 33 H13 -1.8272 -5.6147 0.5188 H 1 noname 0.2183 @BOND 1 1 12 1 2 2 15 1 3 2 31 1 4 3 15 2 5 4 18 1 6 4 32 1 7 5 20 1 8 5 33 1 9 6 7 1 10 6 14 1 11 6 15 1 12 6 21 1 13 7 9 2 14 7 10 1 15 8 11 1 16 8 12 2 17 8 13 1 18 9 12 1 19 9 22 1 20 10 13 2 21 10 23 1 22 11 16 2 23 11 17 1 24 13 24 1 25 14 25 1 26 14 26 1 27 14 27 1 28 16 18 1 29 16 28 1 30 17 19 2 31 17 29 1 32 18 20 2 33 19 20 1 34 19 30 1 @SUBSTRUCTURE 1 noname 1