@MOLECULE 1,1-diethoxyethane 22 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0424 0.3139 0.2639 O.3 1 UNL1 -0.4457 2 O 1.2508 0.4337 0.0181 O.3 1 UNL1 -0.4487 3 C 0.0172 0.9963 -0.3708 C.3 1 UNL1 0.3350 4 C 0.0378 2.3972 0.2354 C.3 1 UNL1 -0.4774 5 C -1.8288 -0.5230 -0.5746 C.3 1 UNL1 -0.0147 6 C 1.3846 -0.9625 -0.2059 C.3 1 UNL1 -0.0071 7 C -2.6505 -1.3630 0.3972 C.3 1 UNL1 -0.4555 8 C 2.8232 -1.2698 0.1968 C.3 1 UNL1 -0.4571 9 H -0.0690 0.9704 -1.4748 H 1 UNL1 0.0959 10 H 0.0228 2.3363 1.3339 H 1 UNL1 0.1746 11 H -0.8367 2.9747 -0.0788 H 1 UNL1 0.1558 12 H 0.9494 2.9345 -0.0507 H 1 UNL1 0.1635 13 H -2.4655 0.1243 -1.2042 H 1 UNL1 0.1150 14 H -1.1882 -1.1482 -1.2185 H 1 UNL1 0.1089 15 H 0.6551 -1.4972 0.4295 H 1 UNL1 0.1270 16 H 1.1944 -1.1869 -1.2692 H 1 UNL1 0.1025 17 H -3.3147 -2.0528 -0.1314 H 1 UNL1 0.1471 18 H -1.9986 -1.9469 1.0600 H 1 UNL1 0.1581 19 H -3.2632 -0.7221 1.0456 H 1 UNL1 0.1607 20 H 3.0420 -2.3379 0.1099 H 1 UNL1 0.1457 21 H 3.5351 -0.7158 -0.4275 H 1 UNL1 0.1552 22 H 3.0080 -0.9634 1.2356 H 1 UNL1 0.1613 @BOND 1 9 3 1 2 16 6 1 3 14 5 1 4 13 5 1 5 5 1 1 6 5 7 1 7 21 8 1 8 3 2 1 9 3 4 1 10 3 1 1 11 6 2 1 12 6 8 1 13 6 15 1 14 17 7 1 15 11 4 1 16 12 4 1 17 20 8 1 18 8 22 1 19 4 10 1 20 7 19 1 21 7 18 1