@MOLECULE ononitol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4292 -0.1089 0.4955 O.3 1 UNL1111111111 -0.4120 2 O -1.0735 -2.5168 0.1368 O.3 1 UNL1111111111 -0.5626 3 O -0.9539 2.1717 -0.6360 O.3 1 UNL1111111111 -0.5585 4 O 1.1033 -1.5423 -1.2357 O.3 1 UNL1111111111 -0.5698 5 O 1.6940 2.2440 0.3506 O.3 1 UNL1111111111 -0.5703 6 O 3.1037 -0.2437 0.1143 O.3 1 UNL1111111111 -0.5421 7 C -1.1471 -0.1113 -0.1046 C.3 1 UNL1111111111 0.0309 8 C -0.4736 -1.3176 0.5888 C.3 1 UNL1111111111 0.0611 9 C -0.3866 1.1911 0.2110 C.3 1 UNL1111111111 0.0814 10 C 1.0013 -1.4472 0.1722 C.3 1 UNL1111111111 0.0670 11 C 1.1091 1.0543 -0.1427 C.3 1 UNL1111111111 0.0439 12 C 1.7657 -0.1619 0.5360 C.3 1 UNL1111111111 0.0659 13 C -3.3866 0.6915 -0.1779 C.3 1 UNL1111111111 -0.1826 14 H -1.2322 -0.2611 -1.2037 H 1 UNL1111111111 0.1582 15 H -0.5943 -1.2636 1.6943 H 1 UNL1111111111 0.1460 16 H -0.5375 1.5164 1.2638 H 1 UNL1111111111 0.1493 17 H 1.4722 -2.3550 0.6115 H 1 UNL1111111111 0.1547 18 H 1.2559 1.0292 -1.2476 H 1 UNL1111111111 0.1569 19 H 1.8544 -0.0232 1.6378 H 1 UNL1111111111 0.1621 20 H -2.0539 -2.4333 0.1955 H 1 UNL1111111111 0.3429 21 H -0.4044 2.9885 -0.6031 H 1 UNL1111111111 0.3369 22 H 0.4913 -2.2436 -1.5598 H 1 UNL1111111111 0.3486 23 H 2.6735 2.1541 0.3562 H 1 UNL1111111111 0.3409 24 H 3.1506 -0.6027 -0.8039 H 1 UNL1111111111 0.3390 25 H -3.5142 0.3673 -1.2145 H 1 UNL1111111111 0.1225 26 H -3.1003 1.7504 -0.1395 H 1 UNL1111111111 0.1515 27 H -4.2998 0.5173 0.4032 H 1 UNL1111111111 0.1381 @BOND 1 1 7 1 2 1 13 1 3 2 8 1 4 2 20 1 5 3 9 1 6 3 21 1 7 4 10 1 8 4 22 1 9 5 11 1 10 5 23 1 11 6 12 1 12 6 24 1 13 7 8 1 14 7 9 1 15 7 14 1 16 8 10 1 17 8 15 1 18 9 11 1 19 9 16 1 20 10 12 1 21 10 17 1 22 11 12 1 23 11 18 1 24 12 19 1 25 13 25 1 26 13 26 1 27 13 27 1