@MOLECULE indole-3-acetaldehyde, 5-hydroxy- 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0065 2.1267 0.0608 O.3 1 UNL1111111111 -0.4748 2 O 3.9901 1.1964 -0.6910 O.2 1 UNL1111111111 -0.4472 3 N 0.0994 -2.3715 -0.1083 N.ar 1 UNL1111111111 -0.3567 4 C -0.1417 -0.1239 0.2424 C.ar 1 UNL1111111111 0.0012 5 C 1.2314 -0.4820 0.4574 C.ar 1 UNL1111111111 -0.1381 6 C -0.8308 -1.3279 -0.1139 C.ar 1 UNL1111111111 0.0285 7 C 1.3413 -1.8510 0.2377 C.ar 1 UNL1111111111 -0.0173 8 C 2.3280 0.4314 0.8241 C.3 1 UNL1111111111 -0.3670 9 C -0.8531 1.0806 0.3126 C.ar 1 UNL1111111111 -0.2984 10 C -2.2047 -1.3524 -0.4000 C.ar 1 UNL1111111111 -0.1378 11 C -2.2053 1.0262 0.0259 C.ar 1 UNL1111111111 0.2672 12 C -2.8936 -0.1619 -0.3288 C.ar 1 UNL1111111111 -0.2067 13 C 2.8185 1.1466 -0.4182 C.2 1 UNL1111111111 0.3671 14 H 2.2125 -2.4781 0.3034 H 1 UNL1111111111 0.1696 15 H -0.1001 -3.3200 -0.3199 H 1 UNL1111111111 0.3135 16 H 1.9949 1.1797 1.5773 H 1 UNL1111111111 0.1761 17 H 3.1674 -0.1115 1.3128 H 1 UNL1111111111 0.1784 18 H -0.3550 2.0015 0.5855 H 1 UNL1111111111 0.1645 19 H -2.7021 -2.2809 -0.6678 H 1 UNL1111111111 0.1592 20 H -3.9606 -0.1025 -0.5370 H 1 UNL1111111111 0.1782 21 H 2.0597 1.6135 -1.0558 H 1 UNL1111111111 0.1149 22 H -2.5082 2.9407 0.3099 H 1 UNL1111111111 0.3254 @BOND 1 1 11 1 2 1 22 1 3 2 13 2 4 3 6 ar 5 3 7 ar 6 3 15 1 7 4 5 ar 8 4 6 ar 9 4 9 ar 10 5 7 ar 11 5 8 1 12 6 10 ar 13 7 14 1 14 8 13 1 15 8 16 1 16 8 17 1 17 9 11 ar 18 9 18 1 19 10 12 ar 20 10 19 1 21 11 12 ar 22 12 20 1 23 13 21 1