REMARK Name = LIG000567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.513 0.407 0.166 0.00 0.00 -0.257 N ATOM 2 C LIG 1 1.201 -0.079 0.184 0.00 0.00 +0.353 A ATOM 3 O LIG 1 1.006 -1.285 0.025 0.00 0.00 -0.244 OA ATOM 4 N LIG 1 0.188 0.893 0.371 0.00 0.00 -0.180 N ATOM 5 N LIG 1 0.450 2.249 0.470 0.00 0.00 -0.146 NA ATOM 6 C LIG 1 1.673 2.657 0.382 0.00 0.00 +0.225 A ATOM 7 C LIG 1 2.827 1.748 0.185 0.00 0.00 +0.293 A ATOM 8 O LIG 1 3.941 2.233 0.048 0.00 0.00 -0.264 OA ENDROOT BRANCH 4 9 ATOM 9 C LIG 1 -1.224 0.588 0.471 0.00 0.00 +0.071 A ATOM 10 C LIG 1 -1.736 -0.718 0.508 0.00 0.00 +0.031 A ATOM 11 C LIG 1 -3.119 -0.987 0.606 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -3.587 -2.418 0.640 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -4.031 0.079 0.677 0.00 0.00 -0.047 A ATOM 14 C LIG 1 -5.513 -0.154 0.783 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -3.539 1.385 0.647 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -2.165 1.632 0.548 0.00 0.00 +0.028 A ENDBRANCH 4 9 BRANCH 6 17 ATOM 17 C LIG 1 1.797 4.087 0.499 0.00 0.00 +0.127 C ATOM 18 N LIG 1 1.886 5.242 0.596 0.00 0.00 -0.189 NA ENDBRANCH 6 17 BRANCH 1 19 ATOM 19 C LIG 1 3.605 -0.543 -0.032 0.00 0.00 +0.130 C BRANCH 19 21 ATOM 20 C LIG 1 5.014 -1.782 -1.714 0.00 0.00 +0.005 C ATOM 21 C LIG 1 3.876 -0.795 -1.517 0.00 0.00 +0.018 C ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 4