REMARK Name = BDB062581 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 -5.617 1.931 0.152 0.00 0.00 -0.082 Cl ATOM 2 C LIG 1 -4.175 1.004 0.051 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -2.965 1.576 0.147 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.826 0.780 0.059 0.00 0.00 -0.218 N ATOM 5 C LIG 1 -1.886 -0.601 -0.127 0.00 0.00 +0.156 A ATOM 6 N LIG 1 -0.674 -1.099 -0.174 0.00 0.00 -0.207 NA ATOM 7 C LIG 1 0.134 0.003 -0.013 0.00 0.00 +0.182 A ATOM 8 C LIG 1 -3.171 -1.204 -0.229 0.00 0.00 +0.050 A ATOM 9 N LIG 1 -0.530 1.160 0.131 0.00 0.00 -0.145 NA ATOM 10 C LIG 1 -4.273 -0.434 -0.144 0.00 0.00 +0.025 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.592 -0.102 -0.003 0.00 0.00 +0.021 A ATOM 12 C LIG 1 2.398 1.035 0.163 0.00 0.00 +0.013 A ATOM 13 C LIG 1 3.792 0.927 0.171 0.00 0.00 +0.016 A ATOM 14 C LIG 1 4.389 -0.322 0.013 0.00 0.00 +0.018 A ATOM 15 BR LIG 1 6.273 -0.470 0.024 0.00 0.00 -0.050 Br ATOM 16 C LIG 1 3.606 -1.462 -0.153 0.00 0.00 +0.016 A ATOM 17 C LIG 1 2.212 -1.351 -0.161 0.00 0.00 +0.013 A ENDBRANCH 7 11 TORSDOF 1