REMARK Name = LIG000067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.545 -1.777 -0.764 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.231 -0.672 -1.287 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.156 0.021 -0.492 0.00 0.00 +0.068 A ATOM 4 C LIG 1 2.419 -0.345 0.816 0.00 0.00 +0.100 A ATOM 5 N LIG 1 3.345 0.328 1.619 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 3.944 1.329 1.175 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 3.726 1.798 -0.091 0.00 0.00 -0.198 N ATOM 8 C LIG 1 1.726 -1.436 1.345 0.00 0.00 +0.031 A ATOM 9 C LIG 1 2.889 1.177 -1.000 0.00 0.00 +0.278 A ATOM 10 O LIG 1 2.741 1.532 -2.166 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 0.797 -2.140 0.569 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.506 2.960 -0.515 0.00 0.00 +0.199 C ATOM 13 C LIG 1 4.636 3.987 0.609 0.00 0.00 +0.244 C ATOM 14 O LIG 1 3.687 4.660 1.009 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.858 4.069 1.235 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.911 4.719 2.008 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.938 3.236 1.088 0.00 0.00 +0.219 C ATOM 18 O LIG 1 7.908 3.324 1.836 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.845 2.180 0.013 0.00 0.00 +0.099 C ATOM 20 C LIG 1 5.875 2.583 -1.085 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 22 ATOM 21 C LIG 1 -0.082 -2.799 -3.016 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.495 -2.546 -1.564 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 N LIG 1 -1.768 -1.837 -1.529 0.00 0.00 -0.293 N ATOM 24 H LIG 1 -1.741 -0.887 -1.865 0.00 0.00 +0.151 HD ATOM 25 C LIG 1 -2.666 -2.066 -0.504 0.00 0.00 +0.304 C ATOM 26 N LIG 1 -3.755 -1.228 -0.620 0.00 0.00 -0.269 N ATOM 27 H LIG 1 -3.844 -0.763 -1.510 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 -2.492 -2.921 0.353 0.00 0.00 -0.252 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.837 -1.101 0.274 0.00 0.00 +0.036 A ATOM 30 C LIG 1 -4.884 -1.702 1.532 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -5.994 -1.521 2.371 0.00 0.00 +0.054 A ATOM 32 CL LIG 1 -5.965 -2.304 3.911 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -7.076 -0.731 1.968 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -7.019 -0.122 0.703 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -5.911 -0.304 -0.131 0.00 0.00 +0.024 A BRANCH 33 36 ATOM 36 C LIG 1 -8.276 -0.524 2.852 0.00 0.00 +0.419 C ATOM 37 F LIG 1 -7.973 0.076 4.035 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.923 -1.682 3.159 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -9.225 0.274 2.279 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 5