PM3 PRECISE XYZ O -0.336 1 0.968 1 1.146 1 H -1.25 1 1.567 1 1.269 1 O 0.475 1 -0.876 1 0.034 1 H 0.813 1 -1.366 1 0.958 1 O -1.649 1 -0.877 1 0.964 1 H -2.439 1 -0.118 1 0.843 1 O -1.178 1 0.338 1 -0.888 1 H -0.433 1 1.019 1 -1.326 1 C 0.712 1 1.787 1 0.458 1 H 1.648 1 1.156 1 0.307 1 H 0.317 1 2.133 1 -0.553 1 H 0.966 1 2.697 1 1.098 1 C -2.431 1 1.097 1 -0.579 1 H -3.188 1 0.394 1 -0.101 1 H -2.188 1 1.95 1 0.137 1 H -2.865 1 1.529 1 -1.544 1 C 0.127 1 -1.917 1 -0.986 1 H 1.052 1 -2.544 1 -1.223 1 H -0.695 1 -2.586 1 -0.581 1 H -0.227 1 -1.406 1 -1.943 1 C -1.995 1 -2.09 1 0.157 1 H -1.157 1 -2.858 1 0.251 1 H -2.969 1 -2.54 1 0.542 1 H -2.116 1 -1.794 1 -0.937 1 Bond info. 1 2 1 1 9 1 3 4 1 3 17 1 5 6 1 5 21 1 7 8 1 7 13 1 9 10 1 9 11 1 9 12 1 13 14 1 13 15 1 13 16 1 17 18 1 17 19 1 17 20 1 21 22 1 21 23 1 21 24 1