REMARK Name = BDB018688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.289 -1.272 -0.315 0.00 0.00 -0.268 N ATOM 2 C LIG 1 -4.014 0.071 -0.906 0.00 0.00 +0.132 C ATOM 3 C LIG 1 -2.739 0.550 -0.207 0.00 0.00 +0.069 C ATOM 4 C LIG 1 -2.663 2.070 -0.170 0.00 0.00 +0.225 C ATOM 5 O LIG 1 -3.637 2.801 -0.328 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 -1.446 2.606 0.165 0.00 0.00 -0.285 N ATOM 7 H LIG 1 -1.433 3.606 0.327 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 -0.249 1.885 0.180 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -0.227 0.572 -0.296 0.00 0.00 -0.025 A ATOM 10 C LIG 1 0.983 -0.136 -0.306 0.00 0.00 +0.014 A ATOM 11 C LIG 1 2.171 0.448 0.167 0.00 0.00 -0.017 A ATOM 12 C LIG 1 2.116 1.772 0.636 0.00 0.00 +0.010 A ATOM 13 C LIG 1 0.917 2.491 0.636 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.482 -0.022 -0.881 0.00 0.00 +0.054 C ATOM 15 C LIG 1 -2.954 0.000 1.212 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -3.599 -1.364 0.998 0.00 0.00 +0.117 C ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 3.438 -0.302 0.161 0.00 0.00 -0.015 A ATOM 18 C LIG 1 4.588 0.226 -0.446 0.00 0.00 +0.046 A ATOM 19 C LIG 1 5.780 -0.494 -0.445 0.00 0.00 +0.124 A ATOM 20 F LIG 1 6.864 0.030 -1.032 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.863 -1.745 0.150 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.734 -2.288 0.757 0.00 0.00 +0.003 A ATOM 23 C LIG 1 3.533 -1.571 0.761 0.00 0.00 +0.009 A ENDBRANCH 11 17 BRANCH 1 25 ATOM 24 N LIG 1 -6.179 -2.749 -1.006 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 -5.304 -2.062 -0.687 0.00 0.00 +0.169 C ENDBRANCH 1 25 TORSDOF 2