! ! camphor: IUPAC numbering, r.s coordinates + Costain errors ! 11 C1 0.20812 0.00724 -0.48859 0.00308 -0.55792 0.00270 C2 1.37924 0.00109 0.11396 0.01325 0.23220 0.00650 C3 0.76833 0.00195 1.27891 0.00117 1.04606 0.00143 C4 -0.70177 0.00214 1.21211 0.00124 0.61060 0.00246 C5 -0.75746 0.00201 1.73446 0.00088 -0.83736 0.00182 C6 -0.04169 0.03609 0.58438 0.00257 -1.63889 0.00092 C7 -0.93391 0.00162 -0.30413 0.00497 0.42459 0.00356 C8 -0.75700 0.00200 -1.12328 0.00135 1.72697 0.00088 C9 -2.31102 0.00065 -0.65997 0.00229 -0.14602 0.01036 C10 0.54276 0.00281 -1.87322 0.00082 -1.11149 0.00138 O 2.54186 0.00059 -0.21128 0.00717 0.23370 0.00648 1 1 2 1 1 6 1 1 7 1 1 10 1 2 3 1 2 11 1 3 4 1 4 5 1 4 7 1 5 6 1 7 8 1 7 9 1 6 7 1 5 7 1 2 7 1 3 7 ! 2 2 1 6 2 2 1 7 2 2 1 10 2 6 1 7 2 6 1 10 2 7 1 10 2 1 2 3 2 1 2 11 2 3 2 11 2 2 3 4 2 3 4 5 2 3 4 7 2 5 4 7 2 4 5 6 2 1 6 5 2 1 7 4 2 1 7 8 2 1 7 9 2 4 7 8 2 4 7 9 2 8 7 9 ! 3 1 6 5 4 3 1 2 3 4 3 10 1 7 4 3 10 1 6 5 3 10 1 2 3 3 10 1 2 11 3 11 2 1 3 end Stub EVA file generated by KRA (coordinate signs need to be assigned): C1 0.20812 0.00724 0.48859 0.00308 0.55792 0.00270 C2 1.37924 0.00109 0.11396 0.01325 0.23220 0.00650 C3 0.76833 0.00195 1.27891 0.00117 1.04606 0.00143 C4 0.70177 0.00214 1.21211 0.00124 0.61060 0.00246 C5 0.75746 0.00201 1.73446 0.00088 0.83736 0.00182 C6 0.04169 0.03609 0.58438 0.00257 1.63889 0.00092 C7 0.93391 0.00162 0.30413 0.00497 0.42459 0.00356 C8 0.75700 0.00200 1.12328 0.00135 1.72697 0.00088 C9 2.31102 0.00065 0.65997 0.00229 0.14602 0.01036 C10 0.54276 0.00281 1.87321 0.00082 1.11149 0.00138 O 2.54186 0.00059 0.21128 0.00717 0.23370 0.00648