REMARK Name = BDB062570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 BR LIG 1 5.927 1.153 -0.486 0.00 0.00 -0.049 Br ATOM 2 C LIG 1 4.236 0.409 -0.266 0.00 0.00 +0.036 A ATOM 3 C LIG 1 3.107 1.130 -0.372 0.00 0.00 +0.130 A ATOM 4 N LIG 1 1.874 0.509 -0.195 0.00 0.00 -0.219 N ATOM 5 C LIG 1 1.750 -0.849 0.094 0.00 0.00 +0.156 A ATOM 6 N LIG 1 0.484 -1.169 0.210 0.00 0.00 -0.207 NA ATOM 7 C LIG 1 -0.171 0.022 -0.014 0.00 0.00 +0.182 A ATOM 8 C LIG 1 2.942 -1.615 0.208 0.00 0.00 +0.049 A ATOM 9 N LIG 1 0.642 1.061 -0.262 0.00 0.00 -0.145 NA ATOM 10 C LIG 1 4.136 -1.014 0.036 0.00 0.00 +0.020 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.629 0.121 0.022 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -2.276 1.344 -0.208 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -3.671 1.429 -0.172 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -4.433 0.294 0.095 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.803 -0.928 0.326 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.409 -1.014 0.289 0.00 0.00 +0.011 A ENDBRANCH 7 11 TORSDOF 1