REMARK Name = BDB000572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.085 -0.219 0.325 0.00 0.00 +0.198 C ATOM 2 O LIG 1 0.222 -1.296 0.890 0.00 0.00 -0.289 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.322 0.588 -0.040 0.00 0.00 +0.195 C ATOM 4 O LIG 1 1.199 1.667 -0.606 0.00 0.00 -0.289 OA ATOM 5 C LIG 1 2.645 -0.014 0.330 0.00 0.00 +0.095 C ENDBRANCH 1 3 BRANCH 1 7 ATOM 6 C LIG 1 -2.416 -0.477 0.350 0.00 0.00 +0.012 C ATOM 7 C LIG 1 -1.243 0.398 -0.053 0.00 0.00 +0.079 C ENDBRANCH 1 7 TORSDOF 2