@MOLECULE (r)-1,2-propanediol 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.9202 0.0035 -0.7105 C.3 1 UNL1 -0.0278 2 C 0.6075 -0.0276 -0.5064 C.3 1 UNL1 0.1268 3 C 1.1101 1.2022 0.2377 C.3 1 UNL1 -0.5008 4 O 0.8128 -1.2077 0.2591 O.3 1 UNL1 -0.5802 5 O -1.5837 0.1555 0.5247 O.3 1 UNL1 -0.5382 6 H -1.2417 0.8818 -1.2962 H 1 UNL1 0.1410 7 H -1.2750 -0.9271 -1.1911 H 1 UNL1 0.1300 8 H 1.1406 -0.1726 -1.4724 H 1 UNL1 0.1194 9 H 2.1740 1.1308 0.4836 H 1 UNL1 0.1463 10 H 0.9666 2.1138 -0.3547 H 1 UNL1 0.1598 11 H 0.5541 1.3459 1.1769 H 1 UNL1 0.1742 12 H 1.6667 -1.1822 0.7271 H 1 UNL1 0.3222 13 H -1.2515 -0.5259 1.1526 H 1 UNL1 0.3274 @BOND 1 8 2 1 2 6 1 1 3 7 1 1 4 1 2 1 5 1 5 1 6 2 3 1 7 2 4 1 8 10 3 1 9 3 9 1 10 3 11 1 11 4 12 1 12 5 13 1