@MOLECULE 91696120 28 28 1 SMALL USER_CHARGES @ATOM 1 F1 3.3907 1.3489 0.6656 F 1 noname -0.1645 2 O1 -1.9054 -1.2753 -0.1875 O.2 1 noname -0.2918 3 N1 1.2839 -2.9230 0.3568 N.3 1 noname -0.3076 4 C1 -0.1417 -2.6474 0.1178 C.3 1 noname 0.0680 5 C2 -0.6737 -1.2626 0.0165 C.2 1 noname 0.1032 6 C3 -0.9890 -3.4480 1.1088 C.3 1 noname -0.0423 7 C4 1.4992 -4.3682 0.4062 C.3 1 noname -0.0070 8 C5 0.0213 0.0011 0.1198 C.2 1 noname -0.0016 9 C6 2.9815 -4.6548 0.6546 C.3 1 noname -0.0527 10 C7 1.4236 0.1103 0.3512 C.2 1 noname 0.0331 11 C8 -0.6978 1.2350 -0.0111 C.2 1 noname -0.0204 12 C9 2.1020 1.3345 0.4521 C.2 1 noname 0.0363 13 C10 -0.0298 2.4820 0.0878 C.2 1 noname -0.0315 14 C11 1.3598 2.5279 0.3177 C.2 1 noname 0.0113 15 H1 -0.4123 -3.1203 -0.8262 H 1 noname 0.0547 16 H2 1.8401 -2.5214 -0.4007 H 1 noname 0.1229 17 H3 -2.0450 -3.2439 0.9318 H 1 noname 0.0251 18 H4 -0.7971 -4.5125 0.9739 H 1 noname 0.0251 19 H5 -0.7285 -3.1580 2.1268 H 1 noname 0.0251 20 H6 0.9060 -4.7966 1.2141 H 1 noname 0.0425 21 H7 1.1971 -4.8132 -0.5419 H 1 noname 0.0425 22 H8 3.1421 -5.7322 0.6915 H 1 noname 0.0243 23 H9 3.2837 -4.2098 1.6027 H 1 noname 0.0243 24 H10 3.5748 -4.2264 -0.1533 H 1 noname 0.0243 25 H11 2.0231 -0.6981 0.4583 H 1 noname 0.0660 26 H12 -1.7262 1.2508 -0.1818 H 1 noname 0.0630 27 H13 -0.5702 3.3597 -0.0101 H 1 noname 0.0623 28 H14 1.8554 3.4349 0.3913 H 1 noname 0.0653 @BOND 1 1 12 1 2 2 5 2 3 3 4 1 4 3 7 1 5 3 16 1 6 4 5 1 7 4 6 1 8 4 15 1 9 5 8 1 10 6 17 1 11 6 18 1 12 6 19 1 13 7 9 1 14 7 20 1 15 7 21 1 16 8 10 2 17 8 11 1 18 9 22 1 19 9 23 1 20 9 24 1 21 10 12 1 22 10 25 1 23 11 13 2 24 11 26 1 25 12 14 2 26 13 14 1 27 13 27 1 28 14 28 1 @SUBSTRUCTURE 1 noname 1