REMARK Name = BDB000542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.112 -2.041 0.735 0.00 0.00 -0.283 OA ATOM 2 C LIG 1 0.489 -0.880 0.628 0.00 0.00 +0.233 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.845 -0.556 0.111 0.00 0.00 +0.031 A ATOM 4 C LIG 1 2.261 0.757 -0.139 0.00 0.00 +0.053 A ATOM 5 C LIG 1 3.544 0.991 -0.636 0.00 0.00 +0.162 A ATOM 6 F LIG 1 3.927 2.252 -0.874 0.00 0.00 -0.202 F ATOM 7 C LIG 1 4.415 -0.060 -0.890 0.00 0.00 +0.193 A ATOM 8 F LIG 1 5.641 0.180 -1.371 0.00 0.00 -0.199 F ATOM 9 C LIG 1 4.001 -1.361 -0.644 0.00 0.00 +0.162 A ATOM 10 F LIG 1 4.827 -2.387 -0.886 0.00 0.00 -0.202 F ATOM 11 C LIG 1 2.724 -1.619 -0.148 0.00 0.00 +0.053 A ENDBRANCH 2 3 BRANCH 2 12 ATOM 12 C LIG 1 -0.469 0.224 1.020 0.00 0.00 +0.233 C ATOM 13 O LIG 1 -0.082 1.073 1.813 0.00 0.00 -0.283 OA BRANCH 12 14 ATOM 14 C LIG 1 -1.836 0.279 0.439 0.00 0.00 +0.031 A ATOM 15 C LIG 1 -2.266 -0.603 -0.560 0.00 0.00 +0.053 A ATOM 16 C LIG 1 -3.559 -0.488 -1.071 0.00 0.00 +0.162 A ATOM 17 F LIG 1 -3.956 -1.337 -2.029 0.00 0.00 -0.202 F ATOM 18 C LIG 1 -4.428 0.489 -0.605 0.00 0.00 +0.193 A ATOM 19 F LIG 1 -5.665 0.589 -1.109 0.00 0.00 -0.199 F ATOM 20 C LIG 1 -4.001 1.364 0.383 0.00 0.00 +0.162 A ATOM 21 F LIG 1 -4.825 2.315 0.841 0.00 0.00 -0.202 F ATOM 22 C LIG 1 -2.714 1.269 0.908 0.00 0.00 +0.053 A ENDBRANCH 12 14 ENDBRANCH 2 12 TORSDOF 3