REMARK Name = BDB063484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.035 -0.632 0.065 0.00 0.00 +0.258 A ATOM 2 O LIG 1 -0.652 -1.944 0.267 0.00 0.00 -0.332 OA ATOM 3 N LIG 1 0.734 -1.996 0.230 0.00 0.00 -0.056 NA ATOM 4 C LIG 1 1.095 -0.725 0.009 0.00 0.00 +0.204 A ATOM 5 N LIG 1 0.029 0.139 -0.097 0.00 0.00 -0.187 NA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.471 -0.277 -0.110 0.00 0.00 +0.041 A ATOM 7 C LIG 1 3.539 -1.162 -0.001 0.00 0.00 +0.122 A ATOM 8 N LIG 1 4.844 -0.803 -0.104 0.00 0.00 -0.263 NA ATOM 9 C LIG 1 5.098 0.504 -0.326 0.00 0.00 +0.111 A ATOM 10 C LIG 1 4.111 1.467 -0.450 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.780 1.067 -0.340 0.00 0.00 +0.014 A ENDBRANCH 4 6 BRANCH 1 15 ATOM 12 C LIG 1 -4.254 1.107 -0.114 0.00 0.00 -0.022 C ATOM 13 C LIG 1 -4.725 -0.294 0.132 0.00 0.00 +0.055 C ATOM 14 C LIG 1 -3.429 -1.048 0.213 0.00 0.00 -0.010 C ATOM 15 C LIG 1 -2.392 -0.208 0.040 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -2.915 1.129 -0.162 0.00 0.00 +0.009 C ENDBRANCH 1 15 TORSDOF 2