@MOLECULE 4-[(1r,2r)-2-amino-1-hydroxypropyl]-1,2-benzenediol 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0922 0.7029 1.6506 O.3 1 UNL111111111 -0.5525 2 O 2.5623 1.8691 -0.5378 O.3 1 UNL111111111 -0.4879 3 O 3.8216 -0.5293 -0.2020 O.3 1 UNL111111111 -0.4460 4 N -3.9445 0.4342 -0.3704 N.3 1 UNL111111111 -0.6398 5 C -1.7481 -0.2298 0.6466 C.3 1 UNL111111111 0.0819 6 C -2.5239 0.1558 -0.6555 C.3 1 UNL111111111 0.0361 7 C -0.2654 -0.2787 0.4175 C.ar 1 UNL111111111 -0.0628 8 C -2.3987 -0.9710 -1.6831 C.3 1 UNL111111111 -0.4657 9 C 0.4222 0.8798 0.0365 C.ar 1 UNL111111111 -0.2505 10 C 0.4189 -1.4806 0.5869 C.ar 1 UNL111111111 -0.1445 11 C 1.7917 0.8068 -0.1700 C.ar 1 UNL111111111 0.1511 12 C 1.7960 -1.5556 0.3748 C.ar 1 UNL111111111 -0.1884 13 C 2.4864 -0.4085 -0.0050 C.ar 1 UNL111111111 0.2049 14 H -2.1458 -1.1791 1.0759 H 1 UNL111111111 0.1504 15 H -2.0933 1.1015 -1.0757 H 1 UNL111111111 0.1433 16 H -2.9708 -0.7278 -2.5894 H 1 UNL111111111 0.1648 17 H -1.3546 -1.1231 -1.9810 H 1 UNL111111111 0.1557 18 H -2.7817 -1.9240 -1.3047 H 1 UNL111111111 0.1455 19 H -0.1060 1.8185 -0.1038 H 1 UNL111111111 0.1591 20 H -0.1194 -2.3779 0.8918 H 1 UNL111111111 0.1602 21 H -4.0356 1.0385 0.4364 H 1 UNL111111111 0.2624 22 H -4.4679 -0.4080 -0.1933 H 1 UNL111111111 0.2453 23 H 2.3373 -2.4917 0.5033 H 1 UNL111111111 0.1782 24 H -1.5649 1.5224 1.5803 H 1 UNL111111111 0.3177 25 H 2.0201 2.6785 -0.6990 H 1 UNL111111111 0.3395 26 H 4.2216 0.3403 -0.4731 H 1 UNL111111111 0.3420 @BOND 1 1 5 1 2 1 24 1 3 2 11 1 4 2 25 1 5 3 13 1 6 3 26 1 7 4 6 1 8 4 21 1 9 4 22 1 10 5 6 1 11 5 7 1 12 5 14 1 13 6 8 1 14 6 15 1 15 7 9 ar 16 7 10 ar 17 8 16 1 18 8 17 1 19 8 18 1 20 9 11 ar 21 9 19 1 22 10 12 ar 23 10 20 1 24 11 13 ar 25 12 13 ar 26 12 23 1