REMARK Name = BDB020204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.535 -0.906 -0.621 0.00 0.00 +0.128 C ATOM 2 C LIG 1 -1.432 -0.140 -1.578 0.00 0.00 +0.228 C ATOM 3 O LIG 1 -1.196 -0.062 -2.784 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 -2.537 0.478 -1.044 0.00 0.00 -0.256 N ATOM 5 H LIG 1 -3.120 0.979 -1.700 0.00 0.00 +0.157 HD ATOM 6 C LIG 1 -3.039 0.361 0.226 0.00 0.00 +0.219 C ATOM 7 O LIG 1 -4.122 0.857 0.525 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 -2.188 -0.378 1.228 0.00 0.00 +0.097 C ATOM 9 C LIG 1 -1.340 -1.451 0.559 0.00 0.00 +0.028 C ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 3.976 1.097 0.239 0.00 0.00 +0.174 C ATOM 11 N LIG 1 2.574 0.792 0.151 0.00 0.00 -0.254 N ATOM 12 N LIG 1 1.666 1.648 0.646 0.00 0.00 -0.066 NA ATOM 13 N LIG 1 0.467 1.133 0.414 0.00 0.00 -0.134 NA ATOM 14 C LIG 1 0.631 -0.070 -0.222 0.00 0.00 +0.095 A ATOM 15 C LIG 1 1.979 -0.305 -0.391 0.00 0.00 +0.134 A ENDBRANCH 1 14 TORSDOF 1