@MOLECULE (2r,3r,4s,5r,6s)-1,2,3,4,5,6,7-heptaneheptol 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1254 -0.4358 1.4113 O.3 1 UNL1111111111 -0.5565 2 O 1.2794 0.4975 -1.7886 O.3 1 UNL1111111111 -0.5719 3 O -1.1299 1.8694 0.7732 O.3 1 UNL1111111111 -0.5710 4 O 3.5245 1.0432 -0.3357 O.3 1 UNL1111111111 -0.5808 5 O -3.6015 0.9463 0.2081 O.3 1 UNL1111111111 -0.5795 6 O 4.0805 -1.4541 0.5541 O.3 1 UNL1111111111 -0.5706 7 O -4.1199 -1.7024 -0.3639 O.3 1 UNL1111111111 -0.5399 8 C -0.0166 -0.0578 0.0649 C.3 1 UNL1111111111 0.0941 9 C 1.2207 0.7428 -0.3949 C.3 1 UNL1111111111 0.0753 10 C -1.2946 0.7834 -0.1213 C.3 1 UNL1111111111 0.0732 11 C 2.5180 0.2543 0.2788 C.3 1 UNL1111111111 0.0976 12 C -2.5565 -0.0078 0.2773 C.3 1 UNL1111111111 0.0505 13 C 2.7859 -1.2345 0.0091 C.3 1 UNL1111111111 -0.0539 14 C -2.8499 -1.1712 -0.6807 C.3 1 UNL1111111111 -0.0654 15 H -0.0760 -1.0273 -0.4815 H 1 UNL1111111111 0.1551 16 H 1.0995 1.8411 -0.2412 H 1 UNL1111111111 0.1609 17 H -1.3740 1.1939 -1.1535 H 1 UNL1111111111 0.1554 18 H 2.5307 0.4729 1.3696 H 1 UNL1111111111 0.1469 19 H -2.4997 -0.3456 1.3370 H 1 UNL1111111111 0.1452 20 H 2.0524 -1.8777 0.5270 H 1 UNL1111111111 0.1384 21 H 2.8065 -1.4605 -1.0712 H 1 UNL1111111111 0.1330 22 H -2.9809 -0.8264 -1.7259 H 1 UNL1111111111 0.1611 23 H -2.0817 -1.9611 -0.6454 H 1 UNL1111111111 0.1323 24 H -0.0270 0.3455 1.9961 H 1 UNL1111111111 0.3435 25 H 2.1331 0.8443 -2.1380 H 1 UNL1111111111 0.3449 26 H -1.9883 2.3400 0.8856 H 1 UNL1111111111 0.3501 27 H 4.4062 0.6461 -0.1559 H 1 UNL1111111111 0.3463 28 H -4.4577 0.4979 0.0225 H 1 UNL1111111111 0.3477 29 H 4.3344 -2.3908 0.4653 H 1 UNL1111111111 0.3217 30 H -4.0935 -2.1914 0.4840 H 1 UNL1111111111 0.3161 @BOND 1 1 8 1 2 1 24 1 3 2 9 1 4 2 25 1 5 3 10 1 6 3 26 1 7 4 11 1 8 4 27 1 9 5 12 1 10 5 28 1 11 6 13 1 12 6 29 1 13 7 14 1 14 7 30 1 15 8 9 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 13 1 23 11 18 1 24 12 14 1 25 12 19 1 26 13 20 1 27 13 21 1 28 14 22 1 29 14 23 1