@MOLECULE t-buli 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 LI -0.0000 -0.0000 -2.0883 Li 1 UNL111111111 0.7301 2 C -0.0000 -0.0000 -0.1155 C.3 1 UNL111111111 -0.2417 3 C 0.0000 1.4473 0.3238 C.3 1 UNL111111111 -0.8381 4 C -1.2534 -0.7236 0.3238 C.3 1 UNL111111111 -0.8811 5 C 1.2534 -0.7236 0.3238 C.3 1 UNL111111111 -0.7926 6 H 0.0000 1.5194 1.4230 H 1 UNL111111111 0.2714 7 H 0.8886 1.9899 -0.0147 H 1 UNL111111111 0.1947 8 H -0.8886 1.9899 -0.0147 H 1 UNL111111111 0.1928 9 H -1.3158 -0.7597 1.4230 H 1 UNL111111111 0.2853 10 H -2.1676 -0.2254 -0.0147 H 1 UNL111111111 0.2070 11 H -1.2790 -1.7645 -0.0147 H 1 UNL111111111 0.2244 12 H 1.3158 -0.7597 1.4230 H 1 UNL111111111 0.2672 13 H 1.2790 -1.7645 -0.0147 H 1 UNL111111111 0.1982 14 H 2.1676 -0.2254 -0.0147 H 1 UNL111111111 0.1825 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 7 3 1 6 8 3 1 7 10 4 1 8 11 4 1 9 13 5 1 10 14 5 1 11 3 6 1 12 4 9 1 13 5 12 1