@MOLECULE 4-methylumbelliferyl phosphate 26 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.3728 0.2286 0.2059 P.3 1 UNL1 0.4050 2 O 2.0253 1.5080 -0.0745 O.2 1 UNL1 -0.3755 3 O -2.1905 -0.6066 -0.5278 O.3 1 UNL1 -0.3769 4 O 3.9222 2.5707 0.0007 O.2 1 UNL1 -0.4193 5 O -3.3585 1.6556 -0.4684 O.3 1 UNL1 -0.2671 6 O -4.5601 -0.4965 -0.5697 O.3 1 UNL1 -0.3335 7 O -3.3579 0.2516 1.6468 O.2 1 UNL1 -0.1989 8 C 1.9085 -0.9024 -0.0178 C.ar 1 UNL1 -0.2952 9 C 1.3097 0.3686 -0.0927 C.ar 1 UNL1 0.3566 10 C 3.3450 -0.9683 0.0783 C.ar 1 UNL1 0.2237 11 C 1.0598 -2.0272 -0.0429 C.ar 1 UNL1 -0.0112 12 C -0.0754 0.5525 -0.2038 C.ar 1 UNL1 -0.3805 13 C -0.8711 -0.5873 -0.2390 C.ar 1 UNL1 0.4168 14 C -0.3055 -1.8880 -0.1448 C.ar 1 UNL1 -0.3225 15 C 4.0633 0.1811 0.0895 C.ar 1 UNL1 -0.4300 16 C 4.0160 -2.2941 0.1607 C.3 1 UNL1 -0.4722 17 C 3.4333 1.4756 0.0094 C.ar 1 UNL1 0.6079 18 H 1.4973 -3.0246 0.0232 H 1 UNL1 0.1486 19 H -0.4732 1.5651 -0.2588 H 1 UNL1 0.2069 20 H -0.9649 -2.7506 -0.1593 H 1 UNL1 0.1736 21 H 5.1494 0.1974 0.1588 H 1 UNL1 0.1941 22 H 3.8046 -2.9067 -0.7297 H 1 UNL1 0.1700 23 H 3.6760 -2.8624 1.0407 H 1 UNL1 0.1707 24 H 5.1106 -2.2140 0.2384 H 1 UNL1 0.1675 25 H -3.4421 1.5444 -1.4920 H 1 UNL1 0.3158 26 H -4.4593 -1.5136 -0.4599 H 1 UNL1 0.3257 @BOND 1 25 5 1 2 22 16 1 3 6 26 1 4 6 1 1 5 3 13 1 6 3 1 1 7 5 1 1 8 19 12 1 9 13 12 ar 10 13 14 ar 11 12 9 ar 12 20 14 1 13 14 11 ar 14 9 2 ar 15 9 8 ar 16 2 17 ar 17 11 8 ar 18 11 18 1 19 8 10 ar 20 4 17 2 21 17 15 ar 22 10 15 ar 23 10 16 1 24 15 21 1 25 16 24 1 26 16 23 1 27 1 7 2