@MOLECULE (s)-2-hydroxy-3-indol-3-yl-propionate 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3462 0.2333 -0.9110 O.3 1 UNL1 -0.2167 2 O 0.5135 -2.1875 1.4642 O.2 1 UNL1 -0.3282 3 O -0.7844 -3.3356 -0.1040 O.2 1 UNL1 -0.3162 4 N -0.8516 1.9118 1.6318 N.ar 1 UNL1 -0.3339 5 C 0.8636 1.0401 0.2089 C.ar 1 UNL1 0.2079 6 C 2.0686 0.7596 -0.1843 C.1 1 UNL1 -0.4372 7 C -0.4353 0.7130 -0.4108 C.ar 1 UNL1 -0.1574 8 C -1.4960 1.2736 0.5126 C.ar 1 UNL1 0.1269 9 C 3.2664 0.4817 -0.5665 C.1 1 UNL1 0.5302 10 C 0.3921 1.7620 1.4196 C.ar 1 UNL1 0.2256 11 C -0.8891 0.0833 -1.5169 C.ar 1 UNL1 0.0456 12 C -2.7809 1.0796 0.1329 C.ar 1 UNL1 -0.0109 13 C -2.1839 -0.0487 -1.7939 C.ar 1 UNL1 -0.0158 14 C -3.1062 0.4382 -0.9859 C.ar 1 UNL1 0.0358 15 C -0.1347 -2.7654 0.6829 C.1 1 UNL1 0.6443 @BOND 1 13 11 ar 2 13 14 ar 3 11 7 ar 4 14 12 ar 5 1 9 1 6 9 6 3 7 7 5 ar 8 7 8 ar 9 6 5 1 10 3 15 2 11 12 8 ar 12 5 10 ar 13 8 4 ar 14 15 2 2 15 10 4 ar