REMARK Name = BDB000160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.667 -0.137 -0.077 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.106 0.887 0.699 0.00 0.00 +0.169 A ATOM 3 C LIG 1 -1.269 0.911 0.969 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -2.121 -0.078 0.501 0.00 0.00 +0.098 A ATOM 5 C LIG 1 -1.572 -1.111 -0.244 0.00 0.00 +0.163 A ATOM 6 C LIG 1 -0.199 -1.145 -0.526 0.00 0.00 +0.169 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.778 0.772 -1.009 0.00 0.00 +0.009 C ATOM 8 C LIG 1 2.099 -0.215 -0.408 0.00 0.00 +0.008 C ENDBRANCH 1 8 BRANCH 2 9 ATOM 9 O LIG 1 0.841 1.901 1.264 0.00 0.00 -0.503 OA ATOM 10 H LIG 1 1.782 1.690 1.122 0.00 0.00 +0.292 HD ENDBRANCH 2 9 BRANCH 3 11 ATOM 11 O LIG 1 -1.791 1.926 1.723 0.00 0.00 -0.503 OA ATOM 12 H LIG 1 -1.020 2.490 1.939 0.00 0.00 +0.292 HD ENDBRANCH 3 11 BRANCH 5 13 ATOM 13 O LIG 1 -2.343 -2.133 -0.732 0.00 0.00 -0.503 OA ATOM 14 H LIG 1 -3.264 -1.970 -0.462 0.00 0.00 +0.292 HD ENDBRANCH 5 13 BRANCH 6 15 ATOM 15 O LIG 1 0.279 -2.201 -1.264 0.00 0.00 -0.503 OA ATOM 16 H LIG 1 -0.512 -2.740 -1.465 0.00 0.00 +0.292 HD ENDBRANCH 6 15 TORSDOF 5