@MOLECULE tetrabutylphosphonium 17 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.0213 0.0259 -0.0608 P.3 1 UNL1 0.1799 2 C 0.6299 0.3175 -1.4632 C.1 1 UNL1 -0.5024 3 C -1.2521 1.0928 0.3639 C.1 1 UNL1 -0.0471 4 C 1.1878 0.1521 1.1872 C.1 1 UNL1 -0.0511 5 C -0.6547 -1.5396 0.0717 C.1 1 UNL1 -0.0510 6 C 1.1261 0.5503 -2.5968 C.1 1 UNL1 0.6256 7 C -2.1757 1.8958 0.5827 C.1 1 UNL1 0.2111 8 C 2.1254 0.2665 1.9953 C.1 1 UNL1 0.2151 9 C -1.1020 -2.7007 0.0709 C.1 1 UNL1 0.2189 10 C 1.6364 0.7863 -3.7669 C.1 1 UNL1 -0.8202 11 C -3.1576 2.7298 0.8253 C.1 1 UNL1 -0.4918 12 C 3.1038 0.3763 2.8606 C.1 1 UNL1 -0.4948 13 C -1.5774 -3.9217 0.0916 C.1 1 UNL1 -0.4961 14 C 2.1352 1.0171 -4.9105 C.1 1 UNL1 0.3354 15 C -4.1273 3.5580 1.0462 C.1 1 UNL1 0.3890 16 C 4.0865 0.4826 3.6946 C.1 1 UNL1 0.3880 17 C -2.0392 -5.1299 0.1042 C.1 1 UNL1 0.3916 @BOND 1 14 10 3 2 10 6 1 3 6 2 3 4 2 1 1 5 1 5 1 6 1 3 1 7 1 4 1 8 9 5 3 9 9 13 1 10 13 17 3 11 3 7 3 12 7 11 1 13 11 15 3 14 4 8 3 15 8 12 1 16 12 16 3