@MOLECULE (2s)-3-(tert-butylamino)propane-1,2-diol 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3005 1.4627 0.3281 O.3 1 UNL1111111111 -0.5702 2 O 3.2314 -1.2169 0.2750 O.3 1 UNL1111111111 -0.5438 3 N -0.7638 -0.2650 -0.7495 N.3 1 UNL1111111111 -0.5875 4 C -1.9879 -0.1353 0.0804 C.3 1 UNL1111111111 0.2905 5 C 0.1932 0.8526 -0.6768 C.3 1 UNL1111111111 -0.1574 6 C -2.7804 -1.4456 -0.1196 C.3 1 UNL1111111111 -0.4750 7 C -1.6058 0.0068 1.5623 C.3 1 UNL1111111111 -0.4713 8 C -2.8704 1.0578 -0.3490 C.3 1 UNL1111111111 -0.5142 9 C 1.4160 0.3760 0.1429 C.3 1 UNL1111111111 0.1039 10 C 2.1599 -0.7799 -0.5350 C.3 1 UNL1111111111 -0.0519 11 H -1.0034 -0.4784 -1.7144 H 1 UNL1111111111 0.2635 12 H -0.2270 1.7608 -0.1929 H 1 UNL1111111111 0.1463 13 H 0.5141 1.1662 -1.6909 H 1 UNL1111111111 0.1250 14 H 1.1348 0.1166 1.1890 H 1 UNL1111111111 0.1628 15 H -2.1590 -2.3146 0.1339 H 1 UNL1111111111 0.1639 16 H -3.6665 -1.4703 0.5208 H 1 UNL1111111111 0.1483 17 H -3.1135 -1.5693 -1.1537 H 1 UNL1111111111 0.1419 18 H -1.0988 0.9549 1.7682 H 1 UNL1111111111 0.1496 19 H -0.9302 -0.8033 1.8673 H 1 UNL1111111111 0.1628 20 H -2.4917 -0.0391 2.2030 H 1 UNL1111111111 0.1474 21 H -3.1475 0.9943 -1.4047 H 1 UNL1111111111 0.1455 22 H -3.7979 1.0853 0.2319 H 1 UNL1111111111 0.1548 23 H -2.3636 2.0146 -0.1927 H 1 UNL1111111111 0.1491 24 H 2.5668 -0.5045 -1.5222 H 1 UNL1111111111 0.1150 25 H 1.5132 -1.6746 -0.6333 H 1 UNL1111111111 0.1649 26 H 2.6534 1.7924 -0.5192 H 1 UNL1111111111 0.3133 27 H 3.6668 -0.4439 0.6965 H 1 UNL1111111111 0.3227 @BOND 1 1 9 1 2 1 26 1 3 2 10 1 4 2 27 1 5 3 4 1 6 3 5 1 7 3 11 1 8 4 6 1 9 4 7 1 10 4 8 1 11 5 9 1 12 5 12 1 13 5 13 1 14 6 15 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 8 23 1 23 9 10 1 24 9 14 1 25 10 24 1 26 10 25 1