REMARK Name = BDB055303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 BR LIG 1 -4.904 2.412 0.266 0.00 0.00 -0.050 Br ATOM 2 C LIG 1 -3.424 1.249 0.092 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.141 1.722 0.359 0.00 0.00 +0.065 A ATOM 4 C LIG 1 -1.053 0.858 0.229 0.00 0.00 +0.173 A ATOM 5 O LIG 1 0.188 1.375 0.504 0.00 0.00 -0.449 OA ATOM 6 C LIG 1 1.240 0.504 0.368 0.00 0.00 +0.173 A ATOM 7 C LIG 1 1.063 -0.823 -0.024 0.00 0.00 +0.185 A ATOM 8 O LIG 1 -0.182 -1.330 -0.296 0.00 0.00 -0.446 OA ATOM 9 C LIG 1 2.178 -1.659 -0.143 0.00 0.00 +0.065 A ATOM 10 BR LIG 1 2.001 -3.472 -0.671 0.00 0.00 -0.046 Br ATOM 11 C LIG 1 3.458 -1.169 0.128 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.617 0.161 0.519 0.00 0.00 +0.023 A ATOM 13 BR LIG 1 5.347 0.828 0.887 0.00 0.00 -0.050 Br ATOM 14 C LIG 1 2.513 1.002 0.641 0.00 0.00 +0.065 A ATOM 15 C LIG 1 -1.240 -0.467 -0.163 0.00 0.00 +0.185 A ATOM 16 C LIG 1 -2.532 -0.931 -0.428 0.00 0.00 +0.065 A ATOM 17 BR LIG 1 -2.848 -2.723 -0.965 0.00 0.00 -0.046 Br ATOM 18 C LIG 1 -3.628 -0.073 -0.301 0.00 0.00 +0.034 A ENDROOT TORSDOF 0