REMARK Name = LIG001977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.758 -0.338 1.653 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.121 -0.172 1.457 0.00 0.00 +0.003 A ATOM 3 C LIG 1 -2.865 0.198 0.216 0.00 0.00 +0.146 C ATOM 4 N LIG 1 -4.248 0.256 0.675 0.00 0.00 -0.282 N ATOM 5 C LIG 1 -4.379 -0.176 1.986 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -5.402 -0.342 2.622 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.023 -0.404 2.496 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.627 -0.785 3.763 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.259 -0.922 3.987 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -0.336 -0.689 2.948 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.390 0.325 -0.229 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.566 -0.969 -1.042 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.978 -2.023 -0.809 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.448 -0.885 -2.095 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.546 -1.735 -2.635 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.797 0.261 -2.763 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.287 0.215 -3.887 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.568 1.564 -2.033 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -5.304 1.507 -1.189 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 N LIG 1 0.146 -0.025 0.616 0.00 0.00 -0.299 N ATOM 21 H LIG 1 0.285 0.984 0.580 0.00 0.00 +0.154 HD BRANCH 20 27 ATOM 22 C LIG 1 3.721 -0.414 0.182 0.00 0.00 +0.225 C ATOM 23 N LIG 1 3.744 -1.828 -0.151 0.00 0.00 -0.325 N ATOM 24 H LIG 1 4.665 -2.248 -0.083 0.00 0.00 +0.148 HD ATOM 25 C LIG 1 2.692 -2.622 0.200 0.00 0.00 +0.072 C ATOM 26 C LIG 1 1.505 -2.116 0.531 0.00 0.00 +0.058 C ATOM 27 C LIG 1 1.383 -0.627 0.482 0.00 0.00 +0.122 C ATOM 28 N LIG 1 2.378 0.186 0.293 0.00 0.00 -0.242 NA BRANCH 22 30 ATOM 29 C LIG 1 5.926 0.628 -0.604 0.00 0.00 +0.130 A ATOM 30 C LIG 1 4.570 0.321 -0.848 0.00 0.00 +0.036 A ATOM 31 C LIG 1 4.002 0.662 -2.093 0.00 0.00 +0.014 A ATOM 32 C LIG 1 4.753 1.319 -3.065 0.00 0.00 +0.039 A ATOM 33 C LIG 1 6.077 1.629 -2.799 0.00 0.00 +0.127 A ATOM 34 F LIG 1 6.805 2.259 -3.731 0.00 0.00 -0.205 F ATOM 35 C LIG 1 6.671 1.289 -1.587 0.00 0.00 +0.084 A BRANCH 29 37 ATOM 36 C LIG 1 7.774 0.585 0.909 0.00 0.00 +0.277 C ATOM 37 O LIG 1 6.430 0.230 0.608 0.00 0.00 -0.495 OA ENDBRANCH 29 37 ENDBRANCH 22 30 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 5