@MOLECULE 2,5-dioxaheptane 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4910 -0.3505 -0.0052 C.3 1 UNL111111111 -0.1956 2 H 4.2694 0.4233 -0.0213 H 1 UNL111111111 0.1447 3 H 3.5616 -0.9787 -0.8987 H 1 UNL111111111 0.1217 4 H 3.5737 -0.9537 0.9042 H 1 UNL111111111 0.1216 5 O 2.2947 0.4040 -0.0076 O.3 1 UNL111111111 -0.3853 6 C 1.1321 -0.4146 0.0102 C.3 1 UNL111111111 -0.0628 7 C -0.0215 0.6015 0.0065 C.3 1 UNL111111111 -0.0629 8 H 1.1047 -1.0607 -0.8835 H 1 UNL111111111 0.1283 9 H 1.1179 -1.0407 0.9181 H 1 UNL111111111 0.1280 10 O -1.1812 -0.2172 0.0070 O.3 1 UNL111111111 -0.4097 11 H -0.0018 1.2400 0.9060 H 1 UNL111111111 0.1269 12 H 0.0011 1.2353 -0.8964 H 1 UNL111111111 0.1272 13 C -2.3889 0.5375 -0.0022 C.3 1 UNL111111111 -0.0146 14 C -3.4853 -0.5219 -0.0080 C.3 1 UNL111111111 -0.4564 15 H -2.4307 1.1735 0.8993 H 1 UNL111111111 0.1135 16 H -2.4193 1.1715 -0.9056 H 1 UNL111111111 0.1135 17 H -4.4800 -0.0669 -0.0175 H 1 UNL111111111 0.1464 18 H -3.3964 -1.1742 -0.8865 H 1 UNL111111111 0.1578 19 H -3.4110 -1.1688 0.8759 H 1 UNL111111111 0.1577 @BOND 1 16 13 1 2 3 1 1 3 12 7 1 4 18 14 1 5 8 6 1 6 2 1 1 7 17 14 1 8 14 13 1 9 14 19 1 10 5 1 1 11 5 6 1 12 1 4 1 13 13 10 1 14 13 15 1 15 7 10 1 16 7 6 1 17 7 11 1 18 6 9 1