REMARK Name = BDB023899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.739 2.078 0.429 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.245 2.081 0.628 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.537 0.978 0.168 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.067 1.060 0.289 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -0.453 -0.287 0.139 0.00 0.00 +0.018 A ATOM 6 C LIG 1 0.896 -0.722 0.269 0.00 0.00 +0.098 A ATOM 7 N LIG 1 0.998 -2.034 -0.012 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -0.258 -2.433 -0.282 0.00 0.00 -0.270 N ATOM 9 C LIG 1 -0.498 -3.819 -0.600 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -1.153 -1.413 -0.235 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.608 -1.448 -0.512 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -3.088 -0.007 -0.790 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -2.700 3.031 1.191 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 2.065 0.067 0.629 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.221 0.003 -0.178 0.00 0.00 +0.029 A ATOM 16 C LIG 1 4.324 0.784 0.158 0.00 0.00 +0.066 A ATOM 17 N LIG 1 5.265 0.515 -0.801 0.00 0.00 -0.277 N ATOM 18 H LIG 1 6.198 0.902 -0.875 0.00 0.00 +0.189 HD ATOM 19 N LIG 1 4.866 -0.363 -1.737 0.00 0.00 -0.181 NA ATOM 20 C LIG 1 4.351 1.631 1.271 0.00 0.00 +0.028 A ATOM 21 C LIG 1 3.203 1.672 2.069 0.00 0.00 +0.003 A ATOM 22 C LIG 1 3.627 -0.682 -1.348 0.00 0.00 +0.143 A ATOM 23 C LIG 1 2.078 0.905 1.757 0.00 0.00 +0.011 A ENDBRANCH 6 14 TORSDOF 1