REMARK Name = LIG000310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.704 0.063 -0.946 0.00 0.00 -0.198 N ATOM 2 C LIG 1 3.742 -0.338 -0.037 0.00 0.00 +0.278 A ATOM 3 O LIG 1 3.536 0.216 1.039 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 2.957 -1.506 -0.427 0.00 0.00 +0.068 A ATOM 5 C LIG 1 3.311 -2.109 -1.622 0.00 0.00 +0.100 A ATOM 6 C LIG 1 2.584 -3.228 -2.040 0.00 0.00 +0.031 A ATOM 7 C LIG 1 1.527 -3.728 -1.271 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.181 -3.117 -0.058 0.00 0.00 -0.029 A ATOM 9 N LIG 1 4.365 -1.652 -2.419 0.00 0.00 -0.131 NA ATOM 10 C LIG 1 1.904 -1.991 0.359 0.00 0.00 +0.020 A ATOM 11 N LIG 1 5.002 -0.632 -2.086 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 9.238 0.785 -2.455 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.179 0.952 -1.856 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.239 1.835 -2.322 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.471 2.303 -3.187 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.940 1.987 -1.895 0.00 0.00 +0.244 C ATOM 17 O LIG 1 5.141 2.640 -2.566 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.537 1.224 -0.633 0.00 0.00 +0.199 C ATOM 19 C LIG 1 6.763 0.867 0.209 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.819 0.158 -0.624 0.00 0.00 +0.099 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 0.026 -3.633 0.765 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 N LIG 1 -1.188 -2.902 0.471 0.00 0.00 -0.295 N ATOM 23 H LIG 1 -1.443 -2.843 -0.502 0.00 0.00 +0.151 HD ATOM 24 C LIG 1 -1.569 -1.833 1.258 0.00 0.00 +0.304 C ATOM 25 N LIG 1 -2.704 -1.238 0.750 0.00 0.00 -0.269 N ATOM 26 H LIG 1 -3.202 -1.776 0.058 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 -0.959 -1.508 2.267 0.00 0.00 -0.252 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.337 -0.066 1.209 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -4.571 0.266 0.631 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -5.275 1.424 1.009 0.00 0.00 -0.016 A ATOM 31 C LIG 1 -4.707 2.254 1.986 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -3.479 1.935 2.564 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -2.796 0.780 2.176 0.00 0.00 +0.023 A BRANCH 30 34 ATOM 34 C LIG 1 -6.570 1.756 0.394 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -7.646 0.855 0.447 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -8.876 1.169 -0.138 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.048 2.389 -0.787 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.993 3.296 -0.850 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.765 2.981 -0.263 0.00 0.00 +0.008 A ENDBRANCH 30 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 5