@MOLECULE 3-azido-7-hydroxycoumarin 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0124 1.3582 0.0169 O.2 1 UNL1 -0.3171 2 O 4.5901 0.7860 -0.0222 O.3 1 UNL1 -0.4503 3 O -2.1600 1.7645 0.0283 O.2 1 UNL1 -0.4129 4 N -2.8610 -1.0729 0.1069 N.2 1 UNL1 -0.4032 5 N -3.8809 -0.3571 -0.0357 N.2 1 UNL1 0.4395 6 N -4.9299 0.0621 -0.1213 N.2 1 UNL1 -0.1448 7 C 0.8241 -0.9145 0.0006 C.ar 1 UNL1 -0.2262 8 C 1.0213 0.4779 0.0066 C.ar 1 UNL1 0.3138 9 C -0.5176 -1.4205 0.0136 C.ar 1 UNL1 -0.0423 10 C 1.9564 -1.7480 -0.0154 C.ar 1 UNL1 0.0086 11 C 2.2881 1.0621 0.0005 C.ar 1 UNL1 -0.3316 12 C 3.3767 0.1931 -0.0154 C.ar 1 UNL1 0.3595 13 C -1.5573 -0.5464 0.0365 C.ar 1 UNL1 -0.0441 14 C 3.2296 -1.2079 -0.0240 C.ar 1 UNL1 -0.3544 15 C -1.3212 0.9045 0.0306 C.ar 1 UNL1 0.5535 16 H -0.6810 -2.5018 0.0119 H 1 UNL1 0.1847 17 H 1.8195 -2.8316 -0.0212 H 1 UNL1 0.1585 18 H 2.4197 2.1426 0.0071 H 1 UNL1 0.2085 19 H 4.1044 -1.8490 -0.0363 H 1 UNL1 0.1675 20 H 5.3348 0.1332 -0.0320 H 1 UNL1 0.3327 @BOND 1 6 5 2 2 19 14 1 3 5 4 2 4 20 2 1 5 14 12 ar 6 14 10 ar 7 2 12 1 8 17 10 1 9 12 11 ar 10 10 7 ar 11 11 8 ar 12 11 18 1 13 7 8 ar 14 7 9 ar 15 8 1 ar 16 16 9 1 17 9 13 ar 18 1 15 ar 19 3 15 2 20 15 13 ar 21 13 4 1