REMARK Name = BDB055331 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 BR LIG 1 -4.988 -2.261 0.394 0.00 0.00 -0.050 Br ATOM 2 C LIG 1 -3.480 -1.139 0.185 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.204 -1.653 0.406 0.00 0.00 +0.065 A ATOM 4 C LIG 1 -1.096 -0.820 0.250 0.00 0.00 +0.173 A ATOM 5 O LIG 1 0.138 -1.378 0.480 0.00 0.00 -0.449 OA ATOM 6 C LIG 1 1.209 -0.538 0.320 0.00 0.00 +0.172 A ATOM 7 C LIG 1 1.055 0.794 -0.051 0.00 0.00 +0.172 A ATOM 8 O LIG 1 -0.176 1.351 -0.281 0.00 0.00 -0.447 OA ATOM 9 C LIG 1 2.171 1.615 -0.203 0.00 0.00 +0.066 A ATOM 10 C LIG 1 3.451 1.097 0.019 0.00 0.00 +0.036 A ATOM 11 BR LIG 1 4.916 2.284 -0.210 0.00 0.00 -0.049 Br ATOM 12 C LIG 1 3.606 -0.245 0.394 0.00 0.00 +0.036 A ATOM 13 BR LIG 1 5.300 -1.041 0.718 0.00 0.00 -0.049 Br ATOM 14 C LIG 1 2.480 -1.062 0.544 0.00 0.00 +0.066 A ATOM 15 C LIG 1 -1.256 0.516 -0.123 0.00 0.00 +0.185 A ATOM 16 C LIG 1 -2.542 1.020 -0.342 0.00 0.00 +0.065 A ATOM 17 BR LIG 1 -2.823 2.825 -0.850 0.00 0.00 -0.046 Br ATOM 18 C LIG 1 -3.658 0.193 -0.188 0.00 0.00 +0.034 A ENDROOT TORSDOF 0