@MOLECULE 6-(2-aminoethyl)-1,2,4-benzenetriol 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2220 -1.6314 0.3365 O.3 1 UNL1111111111 -0.5349 2 O 1.2220 -2.6291 -0.1377 O.3 1 UNL1111111111 -0.4505 3 O 3.0321 1.7646 -0.1938 O.3 1 UNL1111111111 -0.4734 4 N -3.5271 -0.0263 -0.3971 N.3 1 UNL1111111111 -0.6561 5 C -1.6996 1.2655 0.6442 C.3 1 UNL1111111111 -0.2843 6 C -0.3693 0.6553 0.3317 C.ar 1 UNL1111111111 -0.0032 7 C -2.6696 1.1756 -0.5534 C.3 1 UNL1111111111 -0.1027 8 C -0.2191 -0.7236 0.2062 C.ar 1 UNL1111111111 0.0758 9 C 0.7553 1.4752 0.1851 C.ar 1 UNL1111111111 -0.2972 10 C 1.0525 -1.2904 -0.0366 C.ar 1 UNL1111111111 0.2768 11 C 1.9964 0.8921 -0.0649 C.ar 1 UNL1111111111 0.3011 12 C 2.1802 -0.4901 -0.1767 C.ar 1 UNL1111111111 -0.3764 13 H -2.1384 0.7654 1.5364 H 1 UNL1111111111 0.1668 14 H -1.5798 2.3270 0.9433 H 1 UNL1111111111 0.1546 15 H -2.0946 1.0803 -1.5025 H 1 UNL1111111111 0.1551 16 H -3.2628 2.1101 -0.6328 H 1 UNL1111111111 0.1176 17 H 0.6788 2.5551 0.2678 H 1 UNL1111111111 0.1771 18 H 3.1495 -0.9347 -0.3647 H 1 UNL1111111111 0.1832 19 H -4.0009 -0.2673 -1.2535 H 1 UNL1111111111 0.2566 20 H -4.2148 0.0938 0.3315 H 1 UNL1111111111 0.2537 21 H -2.1206 -1.2170 0.1275 H 1 UNL1111111111 0.3847 22 H 0.3430 -3.0940 -0.0415 H 1 UNL1111111111 0.3486 23 H 3.8880 1.2997 -0.3541 H 1 UNL1111111111 0.3267 @BOND 1 1 8 1 2 1 21 1 3 2 10 1 4 2 22 1 5 3 11 1 6 3 23 1 7 4 7 1 8 4 19 1 9 4 20 1 10 5 6 1 11 5 7 1 12 5 13 1 13 5 14 1 14 6 8 ar 15 6 9 ar 16 7 15 1 17 7 16 1 18 8 10 ar 19 9 11 ar 20 9 17 1 21 10 12 ar 22 11 12 ar 23 12 18 1