@MOLECULE 2-butoxy-1-butanol 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1173 0.1933 0.3566 O.3 1 UNL111111111 -0.4092 2 O 3.2065 -1.6520 -0.1668 O.3 1 UNL111111111 -0.5370 3 C 1.4197 -0.0128 -0.1655 C.3 1 UNL111111111 0.0654 4 C 2.2568 1.1277 0.4275 C.3 1 UNL111111111 -0.2747 5 C -0.9306 -0.3222 -0.4553 C.3 1 UNL111111111 -0.0446 6 C -2.2028 0.1135 0.2786 C.3 1 UNL111111111 -0.2914 7 C 1.9159 -1.3849 0.3377 C.3 1 UNL111111111 -0.0563 8 C -3.4462 -0.3807 -0.4661 C.3 1 UNL111111111 -0.2486 9 C 2.0341 2.4293 -0.3374 C.3 1 UNL111111111 -0.4354 10 C -4.7190 0.0507 0.2625 C.3 1 UNL111111111 -0.4372 11 H 1.4170 0.0253 -1.2744 H 1 UNL111111111 0.1156 12 H 3.3282 0.8433 0.4158 H 1 UNL111111111 0.1567 13 H 1.9860 1.2642 1.4944 H 1 UNL111111111 0.1546 14 H -0.8454 -1.4198 -0.5168 H 1 UNL111111111 0.1126 15 H -0.8688 0.1134 -1.4670 H 1 UNL111111111 0.1141 16 H -2.2163 1.2159 0.3790 H 1 UNL111111111 0.1524 17 H -2.1857 -0.2728 1.3162 H 1 UNL111111111 0.1537 18 H 2.0624 -1.3952 1.4335 H 1 UNL111111111 0.1551 19 H 1.2302 -2.2010 0.0583 H 1 UNL111111111 0.1184 20 H -3.4219 -1.4833 -0.5595 H 1 UNL111111111 0.1339 21 H -3.4531 0.0129 -1.5004 H 1 UNL111111111 0.1336 22 H 2.3856 2.3599 -1.3718 H 1 UNL111111111 0.1370 23 H 0.9675 2.6888 -0.3631 H 1 UNL111111111 0.1526 24 H 2.5635 3.2637 0.1360 H 1 UNL111111111 0.1424 25 H -4.7554 -0.3549 1.2800 H 1 UNL111111111 0.1446 26 H -4.7855 1.1419 0.3410 H 1 UNL111111111 0.1448 27 H -5.6152 -0.2971 -0.2629 H 1 UNL111111111 0.1407 28 H 3.2037 -1.6620 -1.1433 H 1 UNL111111111 0.3065 @BOND 1 1 3 1 2 1 5 1 3 2 7 1 4 2 28 1 5 3 4 1 6 3 7 1 7 3 11 1 8 4 9 1 9 4 12 1 10 4 13 1 11 5 6 1 12 5 14 1 13 5 15 1 14 6 8 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 8 10 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 10 27 1