@MOLECULE n-octylethanolamine 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.6812 0.1618 0.0427 O.3 1 UNL1111111111 -0.5449 2 N -3.0424 -0.3972 -0.0353 N.3 1 UNL1111111111 -0.5439 3 C 1.9402 -0.3936 -0.0142 C.3 1 UNL1111111111 -0.2684 4 C 0.6748 0.4731 -0.0306 C.3 1 UNL1111111111 -0.2724 5 C 3.1978 0.4842 -0.0386 C.3 1 UNL1111111111 -0.2742 6 C -0.5818 -0.4023 0.0036 C.3 1 UNL1111111111 -0.2889 7 C 4.4631 -0.3817 0.0067 C.3 1 UNL1111111111 -0.2732 8 C -1.8442 0.4767 -0.0007 C.3 1 UNL1111111111 -0.1101 9 C 5.7229 0.4941 -0.0082 C.3 1 UNL1111111111 -0.2511 10 C -4.2838 0.3876 0.1369 C.3 1 UNL1111111111 -0.1669 11 C 6.9856 -0.3673 0.0328 C.3 1 UNL1111111111 -0.4396 12 C -5.4767 -0.5595 -0.1019 C.3 1 UNL1111111111 -0.0045 13 H 1.9407 -1.0808 -0.8807 H 1 UNL1111111111 0.1384 14 H 1.9465 -1.0383 0.8845 H 1 UNL1111111111 0.1372 15 H 0.6811 1.1664 0.8317 H 1 UNL1111111111 0.1366 16 H 0.6679 1.1112 -0.9347 H 1 UNL1111111111 0.1387 17 H 3.1888 1.1850 0.8171 H 1 UNL1111111111 0.1364 18 H 3.2031 1.1141 -0.9476 H 1 UNL1111111111 0.1364 19 H -0.6024 -1.0843 -0.8696 H 1 UNL1111111111 0.1553 20 H -0.5693 -1.0550 0.8956 H 1 UNL1111111111 0.1370 21 H 4.4563 -1.0177 0.9114 H 1 UNL1111111111 0.1368 22 H 4.4774 -1.0782 -0.8522 H 1 UNL1111111111 0.1370 23 H -1.8637 1.1105 -0.9155 H 1 UNL1111111111 0.1422 24 H -1.8365 1.1622 0.8728 H 1 UNL1111111111 0.1123 25 H 5.7303 1.1319 -0.9120 H 1 UNL1111111111 0.1336 26 H 5.7115 1.1885 0.8531 H 1 UNL1111111111 0.1336 27 H -2.9772 -1.1268 0.6723 H 1 UNL1111111111 0.2526 28 H -4.2990 1.2070 -0.6140 H 1 UNL1111111111 0.1417 29 H -4.3742 0.8672 1.1342 H 1 UNL1111111111 0.1269 30 H 7.0384 -1.0416 -0.8292 H 1 UNL1111111111 0.1425 31 H 7.0195 -0.9849 0.9371 H 1 UNL1111111111 0.1425 32 H 7.8892 0.2519 0.0227 H 1 UNL1111111111 0.1403 33 H -5.4316 -1.0336 -1.0977 H 1 UNL1111111111 0.1296 34 H -5.5565 -1.3404 0.6754 H 1 UNL1111111111 0.1403 35 H -6.7799 0.8201 -0.6718 H 1 UNL1111111111 0.3103 @BOND 1 1 12 1 2 1 35 1 3 2 8 1 4 2 10 1 5 2 27 1 6 3 4 1 7 3 5 1 8 3 13 1 9 3 14 1 10 4 6 1 11 4 15 1 12 4 16 1 13 5 7 1 14 5 17 1 15 5 18 1 16 6 8 1 17 6 19 1 18 6 20 1 19 7 9 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 11 1 25 9 25 1 26 9 26 1 27 10 12 1 28 10 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 11 32 1 33 12 33 1 34 12 34 1