@MOLECULE 4-[(1s,2r)-2-amino-1-hydroxypropyl]-1,2-benzenediol 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2616 -1.4264 -1.0356 O.3 1 UNL1111111111 -0.5482 2 O -2.8273 1.6793 -0.6417 O.3 1 UNL1111111111 -0.4871 3 O -3.7195 -0.5699 0.6086 O.3 1 UNL1111111111 -0.4420 4 N 2.0881 1.4100 1.2955 N.3 1 UNL1111111111 -0.6560 5 C 1.7562 -0.1536 -0.6700 C.3 1 UNL1111111111 0.0757 6 C 2.5999 0.2215 0.5965 C.3 1 UNL1111111111 0.0743 7 C 0.2910 -0.2429 -0.3497 C.ar 1 UNL1111111111 -0.0926 8 C 4.0526 0.4591 0.1761 C.3 1 UNL1111111111 -0.4574 9 C -0.5634 0.8066 -0.7052 C.ar 1 UNL1111111111 -0.2517 10 C -0.2013 -1.3664 0.3108 C.ar 1 UNL1111111111 -0.1344 11 C -1.9077 0.7077 -0.3797 C.ar 1 UNL1111111111 0.1413 12 C -1.5549 -1.4701 0.6304 C.ar 1 UNL1111111111 -0.1973 13 C -2.4118 -0.4288 0.2853 C.ar 1 UNL1111111111 0.2091 14 H 1.9609 0.5438 -1.5110 H 1 UNL1111111111 0.1245 15 H 2.5499 -0.6420 1.3127 H 1 UNL1111111111 0.1578 16 H 4.6762 0.6788 1.0527 H 1 UNL1111111111 0.1599 17 H 4.4613 -0.4344 -0.3150 H 1 UNL1111111111 0.1632 18 H 4.1544 1.2990 -0.5171 H 1 UNL1111111111 0.1404 19 H -0.1820 1.6799 -1.2254 H 1 UNL1111111111 0.1605 20 H 0.4834 -2.1733 0.5835 H 1 UNL1111111111 0.1738 21 H 1.1334 1.2976 1.5983 H 1 UNL1111111111 0.2583 22 H 2.1679 2.2491 0.7488 H 1 UNL1111111111 0.2479 23 H -1.9496 -2.3461 1.1434 H 1 UNL1111111111 0.1808 24 H 1.7023 -1.8303 -1.7290 H 1 UNL1111111111 0.3181 25 H -2.4678 2.3708 -1.2479 H 1 UNL1111111111 0.3391 26 H -4.2424 0.2276 0.3239 H 1 UNL1111111111 0.3421 @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