@MOLECULE 3-(2-aminoethyl)-1h-indole-5,7-diol 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2634 -1.5170 -0.4141 O.3 1 UNL1111 -0.4473 2 O 2.0655 2.9451 0.0833 O.3 1 UNL1111 -0.4676 3 N 0.2828 -2.2530 0.0463 N.ar 1 UNL1111 -0.3532 4 N -4.6381 0.8754 -0.4190 N.3 1 UNL1111 -0.6530 5 C -1.3255 -0.6880 0.4196 C.ar 1 UNL1111 -0.1409 6 C -0.0787 -0.0007 0.2468 C.ar 1 UNL1111 0.0670 7 C 0.9153 -1.0054 0.0152 C.ar 1 UNL1111 -0.1083 8 C -2.6364 -0.0576 0.6644 C.3 1 UNL1111 -0.2563 9 C -1.0700 -2.0484 0.2939 C.ar 1 UNL1111 -0.0172 10 C 0.2745 1.3554 0.2732 C.ar 1 UNL1111 -0.3674 11 C -3.3052 0.2895 -0.6841 C.3 1 UNL1111 -0.0914 12 C 2.2585 -0.6323 -0.1868 C.ar 1 UNL1111 0.2938 13 C 1.6085 1.6651 0.0716 C.ar 1 UNL1111 0.3309 14 C 2.6169 0.7013 -0.1598 C.ar 1 UNL1111 -0.3271 15 H -3.3095 -0.7228 1.2466 H 1 UNL1111 0.1618 16 H -2.5274 0.8555 1.2847 H 1 UNL1111 0.1497 17 H -1.7551 -2.8735 0.3641 H 1 UNL1111 0.1665 18 H 0.7213 -3.1299 -0.0844 H 1 UNL1111 0.3054 19 H -0.4770 2.1115 0.4501 H 1 UNL1111 0.1681 20 H -3.4467 -0.6377 -1.2809 H 1 UNL1111 0.1399 21 H -2.6429 0.9581 -1.2737 H 1 UNL1111 0.1150 22 H 3.6473 1.0153 -0.3086 H 1 UNL1111 0.2005 23 H -5.1530 1.0319 -1.2685 H 1 UNL1111 0.2460 24 H -4.5739 1.7421 0.0875 H 1 UNL1111 0.2448 25 H 2.9543 -2.4503 -0.4062 H 1 UNL1111 0.3145 26 H 1.3405 3.5943 0.2519 H 1 UNL1111 0.3258 @BOND 1 1 12 1 2 1 25 1 3 2 13 1 4 2 26 1 5 3 7 ar 6 3 9 ar 7 3 18 1 8 4 11 1 9 4 23 1 10 4 24 1 11 5 6 ar 12 5 8 1 13 5 9 ar 14 6 7 ar 15 6 10 ar 16 7 12 ar 17 8 11 1 18 8 15 1 19 8 16 1 20 9 17 1 21 10 13 ar 22 10 19 1 23 11 20 1 24 11 21 1 25 12 14 ar 26 13 14 ar 27 14 22 1