REMARK Name = LIG001606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.652 3.074 -0.549 0.00 0.00 +0.173 C ATOM 2 N LIG 1 1.131 1.764 -0.235 0.00 0.00 -0.266 N ATOM 3 C LIG 1 1.867 0.651 0.081 0.00 0.00 +0.071 A ATOM 4 C LIG 1 0.930 -0.353 0.297 0.00 0.00 +0.024 A ATOM 5 C LIG 1 1.379 -1.635 0.658 0.00 0.00 +0.013 A ATOM 6 C LIG 1 2.758 -1.863 0.779 0.00 0.00 +0.023 A ATOM 7 C LIG 1 3.691 -0.860 0.506 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -0.334 0.268 0.086 0.00 0.00 +0.083 A ATOM 9 C LIG 1 3.248 0.434 0.203 0.00 0.00 +0.050 A ATOM 10 N LIG 1 -0.201 1.564 -0.234 0.00 0.00 -0.175 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -1.692 -0.362 0.212 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.095 -1.041 -1.093 0.00 0.00 +0.228 C ATOM 13 O LIG 1 -1.321 -1.681 -1.803 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 -3.434 -1.014 -1.413 0.00 0.00 -0.256 N ATOM 15 H LIG 1 -3.686 -1.505 -2.260 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -4.479 -0.692 -0.586 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -5.636 -0.973 -0.885 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -4.117 -0.071 0.740 0.00 0.00 +0.097 C ATOM 19 C LIG 1 -2.773 0.631 0.659 0.00 0.00 +0.028 C ENDBRANCH 8 11 BRANCH 7 20 ATOM 20 N LIG 1 5.053 -1.090 0.747 0.00 0.00 -0.358 N ATOM 21 H LIG 1 5.669 -0.467 0.233 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 5.324 -2.064 0.645 0.00 0.00 +0.142 HD ENDBRANCH 7 20 TORSDOF 2