COMPND PENTANAL AUTHOR DAVE WOODCOCK 96 07 02 ATOM 1 C 1 -2.322 -0.176 0.018 1.00 0.00 ATOM 2 O 1 -3.527 0.476 0.028 1.00 0.00 ATOM 3 C 1 -1.022 0.623 0.014 1.00 0.00 ATOM 4 C 1 0.165 -0.337 0.002 1.00 0.00 ATOM 5 C 1 1.465 0.462 -0.002 1.00 0.00 ATOM 6 C 1 2.651 -0.498 -0.014 1.00 0.00 ATOM 7 H 1 -2.293 -1.256 0.011 1.00 0.00 ATOM 8 H 1 -0.976 1.246 0.907 1.00 0.00 ATOM 9 H 1 -0.986 1.256 -0.873 1.00 0.00 ATOM 10 H 1 0.119 -0.960 -0.891 1.00 0.00 ATOM 11 H 1 0.129 -0.970 0.888 1.00 0.00 ATOM 12 H 1 1.511 1.085 0.891 1.00 0.00 ATOM 13 H 1 1.500 1.095 -0.888 1.00 0.00 ATOM 14 H 1 2.605 -1.121 -0.907 1.00 0.00 ATOM 15 H 1 2.616 -1.131 0.873 1.00 0.00 ATOM 16 H 1 3.580 0.073 -0.017 1.00 0.00 TER 17 1 END