REMARK Name = LIG001473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.424 2.703 1.978 0.00 0.00 +0.173 C ATOM 2 N LIG 1 2.411 1.710 0.931 0.00 0.00 -0.266 N ATOM 3 C LIG 1 1.305 1.095 0.402 0.00 0.00 +0.071 A ATOM 4 C LIG 1 1.799 0.240 -0.577 0.00 0.00 +0.024 A ATOM 5 C LIG 1 0.893 -0.539 -1.317 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.481 -0.437 -1.047 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -0.965 0.427 -0.064 0.00 0.00 +0.037 A ATOM 8 C LIG 1 3.211 0.414 -0.543 0.00 0.00 +0.083 A ATOM 9 C LIG 1 -0.067 1.209 0.682 0.00 0.00 +0.051 A ATOM 10 N LIG 1 3.576 1.299 0.395 0.00 0.00 -0.175 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 4.238 -0.273 -1.391 0.00 0.00 +0.127 C ATOM 12 C LIG 1 5.055 0.742 -2.169 0.00 0.00 +0.228 C ATOM 13 O LIG 1 4.650 1.265 -3.207 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 6.292 1.070 -1.666 0.00 0.00 -0.256 N ATOM 15 H LIG 1 6.806 1.769 -2.183 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 6.929 0.545 -0.573 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.053 0.929 -0.255 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 6.182 -0.495 0.226 0.00 0.00 +0.097 C ATOM 19 C LIG 1 5.150 -1.228 -0.619 0.00 0.00 +0.028 C ENDBRANCH 8 11 BRANCH 7 20 ATOM 20 N LIG 1 -2.333 0.559 0.252 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -2.572 1.242 0.954 0.00 0.00 +0.156 HD ATOM 22 C LIG 1 -3.409 0.009 -0.411 0.00 0.00 +0.304 C ATOM 23 N LIG 1 -4.584 0.296 0.256 0.00 0.00 -0.293 N ATOM 24 H LIG 1 -4.510 0.384 1.257 0.00 0.00 +0.151 HD ATOM 25 O LIG 1 -3.384 -0.637 -1.449 0.00 0.00 -0.252 OA BRANCH 23 26 ATOM 26 C LIG 1 -5.836 -0.227 -0.241 0.00 0.00 +0.098 C ATOM 27 C LIG 1 -6.054 -1.707 0.102 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -6.866 -1.725 1.399 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -7.497 -0.372 1.417 0.00 0.00 -0.029 C ATOM 30 C LIG 1 -6.933 0.445 0.520 0.00 0.00 -0.009 C ENDBRANCH 23 26 ENDBRANCH 7 20 TORSDOF 3