@MOLECULE (2s)-3-pentyn-2-ol 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6501 -1.1715 0.1649 O.3 1 UNL1111111111 -0.5442 2 C -1.0782 -0.0060 -0.4045 C.3 1 UNL1111111111 0.2169 3 C -1.7346 1.2381 0.2064 C.3 1 UNL1111111111 -0.4888 4 C 0.3517 0.0132 -0.2141 C.1 1 UNL1111111111 -0.2022 5 C 1.5525 0.0163 -0.0527 C.1 1 UNL1111111111 -0.0287 6 C 2.9678 0.0195 0.1376 C.3 1 UNL1111111111 -0.4077 7 H -1.3564 -0.1280 -1.4853 H 1 UNL1111111111 0.1569 8 H -1.4692 1.3584 1.2619 H 1 UNL1111111111 0.1526 9 H -2.8277 1.1612 0.1465 H 1 UNL1111111111 0.1637 10 H -1.4270 2.1479 -0.3196 H 1 UNL1111111111 0.1560 11 H -1.3970 -1.2637 1.1041 H 1 UNL1111111111 0.3139 12 H 3.2831 0.7539 0.9017 H 1 UNL1111111111 0.1686 13 H 3.3406 -0.9690 0.4670 H 1 UNL1111111111 0.1722 14 H 3.5091 0.2709 -0.7938 H 1 UNL1111111111 0.1708 @BOND 1 1 2 1 2 1 11 1 3 2 3 1 4 2 4 1 5 2 7 1 6 3 8 1 7 3 9 1 8 3 10 1 9 4 5 3 10 5 6 1 11 6 12 1 12 6 13 1 13 6 14 1