REMARK Name = BDB028166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.412 -0.391 0.066 0.00 0.00 +0.083 A ATOM 2 C LIG 1 -1.110 0.320 0.005 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.142 1.685 -0.259 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.045 2.420 -0.335 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.272 1.779 -0.146 0.00 0.00 +0.009 A ATOM 6 C LIG 1 1.333 0.402 0.123 0.00 0.00 -0.016 A ATOM 7 C LIG 1 -2.439 2.351 -0.460 0.00 0.00 +0.272 A ATOM 8 O LIG 1 -2.510 3.551 -0.695 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.548 1.548 -0.368 0.00 0.00 -0.242 N ATOM 10 H LIG 1 -4.453 1.989 -0.504 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 0.125 -0.320 0.196 0.00 0.00 +0.019 A ATOM 12 N LIG 1 -3.553 0.212 -0.114 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.626 -0.268 0.319 0.00 0.00 +0.003 A ATOM 14 C LIG 1 2.904 -1.015 1.459 0.00 0.00 +0.143 A ATOM 15 N LIG 1 4.078 -1.650 1.669 0.00 0.00 -0.157 NA ATOM 16 N LIG 1 5.055 -1.567 0.732 0.00 0.00 -0.158 NA ATOM 17 C LIG 1 4.835 -0.850 -0.387 0.00 0.00 +0.135 A ATOM 18 C LIG 1 3.645 -0.190 -0.631 0.00 0.00 +0.031 A ENDBRANCH 6 13 BRANCH 1 19 ATOM 19 C LIG 1 -2.408 -1.896 0.353 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -3.774 -2.431 0.389 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -4.225 -2.185 -0.495 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -4.302 -1.885 1.075 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 3