@MOLECULE (2s)-1-(hydroxyamino)-3-(1h-indol-3-yl)-1-oxo-2-propanaminium 16 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.2669 0.4164 0.5021 O.2 1 UNL1 -0.3168 2 O 3.2281 -2.1754 1.1620 O.2 1 UNL1 0.1247 3 N 2.7107 1.1675 -1.9276 N.pl3 1 UNL1 -0.0956 4 N -2.1570 1.7663 1.1685 N.2 1 UNL1 -0.3068 5 N 2.7768 -1.3196 0.4771 N.am 1 UNL1 -0.2868 6 C 0.9669 0.7922 -0.3731 C.1 1 UNL1 0.0830 7 C 2.2474 0.6808 -0.7957 C.2 1 UNL1 -0.0009 8 C -0.2641 0.8712 0.0383 C.2 1 UNL1 -0.0576 9 C -1.3951 -0.0462 -0.1975 C.ar 1 UNL1 -0.1115 10 C -2.5585 0.5432 0.5236 C.ar 1 UNL1 0.1159 11 C -0.9231 1.8865 0.8708 C.2 1 UNL1 0.2515 12 C 3.2284 -0.0366 0.1146 C.2 1 UNL1 0.5379 13 C -1.6920 -1.2025 -0.8351 C.ar 1 UNL1 0.0430 14 C -3.6993 -0.1828 0.4104 C.ar 1 UNL1 -0.0024 15 C -2.8412 -1.8477 -0.8958 C.ar 1 UNL1 -0.0144 16 C -3.8948 -1.3134 -0.2424 C.ar 1 UNL1 0.0368 @BOND 1 3 7 1 2 15 13 ar 3 15 16 ar 4 13 9 ar 5 7 6 2 6 7 12 1 7 6 8 2 8 16 14 ar 9 9 8 1 10 9 10 ar 11 8 11 1 12 12 5 1 13 12 1 2 14 14 10 ar 15 5 2 2 16 10 4 1 17 11 4 2