@MOLECULE 2-amino-3-(3,5-dihydroxyphenyl)-1-propanol 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2544 1.3921 0.3907 O.3 1 UNL1111111111 -0.4448 2 O 2.5475 2.4449 -0.0308 O.3 1 UNL1111111111 -0.3816 3 O 2.8096 -2.2439 0.4953 O.3 1 UNL1111111111 -0.2940 4 N -3.5475 -1.2261 -0.3505 N.3 1 UNL1111111111 -1.0418 5 CA -2.2580 -0.7325 0.1714 C.3 1 UNL1111111111 0.5690 6 C -1.3612 -0.3583 -1.0300 C.3 1 UNL1111111111 -1.0306 7 C 0.0592 -0.1830 -0.5953 C.ar 1 UNL1111111111 0.5552 8 C -2.4315 0.4878 1.1119 C.3 1 UNL1111111111 -0.7155 9 C 0.8168 -1.2996 -0.2461 C.ar 1 UNL1111111111 -0.4692 10 C 0.6157 1.0988 -0.5343 C.ar 1 UNL1111111111 -0.7193 11 C 1.9416 1.2350 -0.1170 C.ar 1 UNL1111111111 0.3431 12 C 2.1403 -1.1118 0.1689 C.ar 1 UNL1111111111 0.2059 13 C 2.7370 0.1461 0.2474 C.ar 1 UNL1111111111 -0.5605 14 HA -1.7809 -1.5676 0.7499 H 1 UNL1111111111 0.1236 15 H -1.4363 -1.1593 -1.8000 H 1 UNL1111111111 0.3170 16 H -1.7596 0.5543 -1.5197 H 1 UNL1111111111 0.3592 17 H1 -2.9461 0.2132 2.0473 H 1 UNL1111111111 0.2557 18 H2 -1.4634 0.9642 1.3420 H 1 UNL1111111111 0.2815 19 H 0.4047 -2.3033 -0.2963 H 1 UNL1111111111 0.2833 20 H 0.0284 1.9653 -0.8111 H 1 UNL1111111111 0.2537 21 H1 -4.0134 -0.5141 -0.8968 H 1 UNL1111111111 0.4384 22 H2 -4.1684 -1.5007 0.3944 H 1 UNL1111111111 0.3883 23 H 3.7597 0.2928 0.5672 H 1 UNL1111111111 0.2887 24 H -3.3291 2.2383 0.8697 H 1 UNL1111111111 0.3499 25 H 1.9529 3.1825 -0.3127 H 1 UNL1111111111 0.3255 26 H 3.7418 -2.0642 0.7707 H 1 UNL1111111111 0.3192 @BOND 1 1 8 1 2 1 24 1 3 2 11 1 4 2 25 1 5 3 12 1 6 3 26 1 7 4 5 1 8 4 21 1 9 4 22 1 10 5 6 1 11 5 8 1 12 5 14 1 13 6 7 1 14 6 15 1 15 6 16 1 16 7 9 ar 17 7 10 ar 18 8 17 1 19 8 18 1 20 9 12 ar 21 9 19 1 22 10 11 ar 23 10 20 1 24 11 13 ar 25 12 13 ar 26 13 23 1