@MOLECULE 1-ethoxybutane 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1444 -0.3087 -0.0002 C.3 1 UNL11111111 -0.2930 2 C 0.0452 0.6567 -0.0016 C.3 1 UNL11111111 -0.0463 3 O 1.1789 -0.2010 0.0013 O.3 1 UNL11111111 -0.4066 4 C 2.4122 0.5079 0.0029 C.3 1 UNL11111111 -0.0218 5 C 3.4719 -0.5887 -0.0021 C.3 1 UNL11111111 -0.4559 6 C -2.4647 0.4671 -0.0017 C.3 1 UNL11111111 -0.2483 7 H -1.0804 -0.9789 -0.8789 H 1 UNL11111111 0.1524 8 H -1.0808 -0.9758 0.8809 H 1 UNL11111111 0.1524 9 H 0.0605 1.2949 0.8983 H 1 UNL11111111 0.1125 10 H 0.0620 1.2902 -0.9048 H 1 UNL11111111 0.1125 11 H 2.4730 1.1382 0.9073 H 1 UNL11111111 0.1107 12 H 2.4726 1.1453 -0.8964 H 1 UNL11111111 0.1106 13 H 4.4819 -0.1690 0.0020 H 1 UNL11111111 0.1457 14 H 3.3650 -1.2403 0.8750 H 1 UNL11111111 0.1579 15 H 3.3675 -1.2299 -0.8870 H 1 UNL11111111 0.1578 16 C -3.6549 -0.4924 0.0013 C.3 1 UNL11111111 -0.4358 17 H -2.5159 1.1335 0.8804 H 1 UNL11111111 0.1336 18 H -2.5168 1.1288 -0.8873 H 1 UNL11111111 0.1336 19 H -4.6050 0.0528 0.0011 H 1 UNL11111111 0.1396 20 H -3.6470 -1.1427 -0.8808 H 1 UNL11111111 0.1443 21 H -3.6456 -1.1390 0.8862 H 1 UNL11111111 0.1443 @BOND 1 10 2 1 2 12 4 1 3 18 6 1 4 15 5 1 5 20 16 1 6 7 1 1 7 5 13 1 8 5 4 1 9 5 14 1 10 6 1 1 11 6 16 1 12 6 17 1 13 2 1 1 14 2 3 1 15 2 9 1 16 1 8 1 17 19 16 1 18 3 4 1 19 16 21 1 20 4 11 1