@MOLECULE 1-propoxypentane 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.8834 -0.0459 -0.0004 C.3 1 UNL111111111 -0.4378 2 C 3.4934 0.5818 -0.0071 C.3 1 UNL111111111 -0.2720 3 C 2.4137 -0.5061 -0.0018 C.3 1 UNL111111111 -0.0400 4 O 1.1934 0.2237 0.0105 O.3 1 UNL111111111 -0.4118 5 C 0.0457 -0.6154 -0.0032 C.3 1 UNL111111111 -0.0409 6 C -1.1285 0.3685 0.0073 C.3 1 UNL111111111 -0.2947 7 C -2.4584 -0.3891 0.0020 C.3 1 UNL111111111 -0.2707 8 C -3.6381 0.5927 -0.0059 C.3 1 UNL111111111 -0.2459 9 C -4.9696 -0.1581 -0.0019 C.3 1 UNL111111111 -0.4404 10 H 5.0470 -0.6561 0.8953 H 1 UNL111111111 0.1429 11 H 5.0408 -0.6898 -0.8731 H 1 UNL111111111 0.1427 12 H 5.6639 0.7243 -0.0176 H 1 UNL111111111 0.1456 13 H 3.3557 1.2445 0.8695 H 1 UNL111111111 0.1500 14 H 3.3589 1.2350 -0.8913 H 1 UNL111111111 0.1495 15 H 2.4598 -1.1374 -0.9053 H 1 UNL111111111 0.1126 16 H 2.4731 -1.1421 0.8976 H 1 UNL111111111 0.1128 17 H 0.0541 -1.2394 -0.9130 H 1 UNL111111111 0.1128 18 H 0.0500 -1.2630 0.8902 H 1 UNL111111111 0.1129 19 H -1.0530 1.0266 0.8945 H 1 UNL111111111 0.1523 20 H -1.0550 1.0445 -0.8665 H 1 UNL111111111 0.1522 21 H -2.5168 -1.0541 -0.8800 H 1 UNL111111111 0.1364 22 H -2.5257 -1.0500 0.8867 H 1 UNL111111111 0.1366 23 H -3.5789 1.2627 0.8727 H 1 UNL111111111 0.1356 24 H -3.5767 1.2514 -0.8930 H 1 UNL111111111 0.1355 25 H -5.0544 -0.8289 -0.8641 H 1 UNL111111111 0.1418 26 H -5.0829 -0.7676 0.9015 H 1 UNL111111111 0.1416 27 H -5.8173 0.5349 -0.0391 H 1 UNL111111111 0.1400 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1