REMARK Name = LIG001536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.387 0.040 -0.495 0.00 0.00 +0.227 C ATOM 2 N LIG 1 0.389 0.482 0.345 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.622 1.195 1.032 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 1.153 -0.569 -1.536 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.004 0.388 -0.055 0.00 0.00 +0.168 C ATOM 6 C LIG 1 -1.904 1.036 0.979 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -1.643 2.039 1.625 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -3.036 0.298 1.077 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -3.788 0.515 1.712 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -2.895 -0.931 0.519 0.00 0.00 +0.221 C ATOM 11 O LIG 1 -3.713 -1.831 0.604 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -1.552 -1.032 -0.147 0.00 0.00 +0.128 C ENDBRANCH 2 5 BRANCH 1 13 ATOM 13 C LIG 1 2.803 0.368 -0.007 0.00 0.00 +0.174 C BRANCH 13 14 ATOM 14 N LIG 1 3.812 -0.183 -0.921 0.00 0.00 -0.322 NA ATOM 15 H LIG 1 3.604 0.164 -1.861 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 3.644 -1.189 -1.002 0.00 0.00 +0.119 HD ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 3