REMARK Name = BDB000533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.024 -2.520 -0.137 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 0.012 -1.292 -0.078 0.00 0.00 +0.193 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.300 -0.553 -0.100 0.00 0.00 +0.022 A ATOM 4 C LIG 1 2.416 -1.140 0.508 0.00 0.00 +0.012 A ATOM 5 C LIG 1 3.646 -0.479 0.498 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.766 0.760 -0.130 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.661 1.338 -0.756 0.00 0.00 +0.001 A ATOM 8 C LIG 1 1.429 0.681 -0.748 0.00 0.00 +0.012 A ENDBRANCH 2 3 BRANCH 2 9 ATOM 9 C LIG 1 -1.289 -0.584 0.014 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -1.441 0.580 0.778 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -2.686 1.209 0.847 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.780 0.673 0.168 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -3.636 -0.498 -0.576 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.394 -1.130 -0.649 0.00 0.00 +0.012 A ENDBRANCH 2 9 TORSDOF 2