@MOLECULE 5-hydroxypentanoate 17 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.3441 -0.8359 0.1784 O.3 1 UNL1 -0.5399 2 O 2.7314 -0.7592 0.7419 O.co2 1 UNL1 -0.4540 3 O 1.6456 -0.5693 -1.2000 O.co2 1 UNL1 -0.1117 4 C -0.1925 1.1773 -0.2259 C.3 1 UNL1 -0.2611 5 C -1.0976 0.0573 0.2932 C.3 1 UNL1 -0.3306 6 C 1.2083 1.0899 0.3757 C.3 1 UNL1 -0.3349 7 C -2.5301 0.2474 -0.2171 C.3 1 UNL1 0.0026 8 C 1.9515 -0.1899 0.0157 C.2 1 UNL1 0.4906 9 H -0.1451 1.1467 -1.3335 H 1 UNL1 0.1528 10 H -0.6340 2.1653 0.0215 H 1 UNL1 0.1484 11 H -0.7217 -0.9338 -0.0347 H 1 UNL1 0.1656 12 H -1.0869 0.0267 1.3985 H 1 UNL1 0.1456 13 H 1.8319 1.9509 0.0530 H 1 UNL1 0.1755 14 H 1.1631 1.1481 1.4869 H 1 UNL1 0.1857 15 H -2.5917 0.2055 -1.3216 H 1 UNL1 0.1439 16 H -2.9815 1.1889 0.1409 H 1 UNL1 0.1114 17 H -3.3596 -0.9260 1.1509 H 1 UNL1 0.3101 @BOND 1 9 4 1 2 15 7 1 3 3 8 ar 4 4 10 1 5 4 5 1 6 4 6 1 7 7 16 1 8 7 1 1 9 7 5 1 10 11 5 1 11 8 6 1 12 8 2 ar 13 13 6 1 14 1 17 1 15 5 12 1 16 6 14 1