REMARK Name = LIG001571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.108 -0.490 -0.703 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.946 -0.047 -0.092 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -0.540 -0.279 -0.435 0.00 0.00 +0.256 C ATOM 4 N LIG 1 0.211 0.424 0.468 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -0.578 1.054 1.391 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -0.244 1.735 2.342 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 -0.163 -0.967 -1.366 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -1.963 0.776 1.022 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.139 1.193 1.613 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.328 0.737 1.043 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -4.310 -0.108 -0.088 0.00 0.00 +0.023 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 1.661 0.371 0.575 0.00 0.00 +0.171 C ATOM 13 C LIG 1 2.076 -0.973 1.182 0.00 0.00 +0.240 C ATOM 14 O LIG 1 1.338 -1.668 1.877 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 3.383 -1.347 0.963 0.00 0.00 -0.255 N ATOM 16 H LIG 1 3.665 -2.227 1.374 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 4.310 -0.739 0.153 0.00 0.00 +0.219 C ATOM 18 O LIG 1 5.433 -1.214 0.007 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 3.897 0.566 -0.488 0.00 0.00 +0.098 C ATOM 20 C LIG 1 2.397 0.606 -0.741 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -3.110 -1.437 -1.726 0.00 0.00 -0.357 N ATOM 22 H LIG 1 -2.222 -1.514 -2.227 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -3.918 -1.426 -2.339 0.00 0.00 +0.142 HD ENDBRANCH 1 21 TORSDOF 2