REMARK Name = BDB027903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.448 -1.242 -0.563 0.00 0.00 +0.141 A ATOM 2 C LIG 1 0.760 -0.095 -1.025 0.00 0.00 +0.070 A ATOM 3 C LIG 1 1.189 1.170 -0.610 0.00 0.00 +0.039 A ATOM 4 C LIG 1 2.275 1.317 0.267 0.00 0.00 +0.057 A ATOM 5 C LIG 1 2.941 0.170 0.718 0.00 0.00 +0.016 A ATOM 6 C LIG 1 2.531 -1.102 0.307 0.00 0.00 +0.048 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.728 2.695 0.679 0.00 0.00 +0.417 C ATOM 8 F LIG 1 3.449 3.321 -0.290 0.00 0.00 -0.166 F ATOM 9 F LIG 1 3.522 2.688 1.788 0.00 0.00 -0.166 F ATOM 10 F LIG 1 1.690 3.525 0.977 0.00 0.00 -0.166 F ENDBRANCH 4 7 BRANCH 1 12 ATOM 11 C LIG 1 1.687 -3.611 -0.689 0.00 0.00 +0.277 C ATOM 12 O LIG 1 0.950 -2.440 -1.021 0.00 0.00 -0.493 OA ENDBRANCH 1 12 BRANCH 2 13 ATOM 13 N LIG 1 -0.354 -0.245 -1.881 0.00 0.00 -0.330 N ATOM 14 H LIG 1 -0.337 -1.215 -2.208 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -1.696 0.070 -1.338 0.00 0.00 +0.158 C ATOM 16 C LIG 1 -1.968 1.576 -1.168 0.00 0.00 +0.239 C ATOM 17 O LIG 1 -1.594 2.442 -1.958 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -2.757 1.933 -0.097 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -2.951 2.922 -0.016 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -3.560 1.112 0.651 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -4.424 1.571 1.392 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -3.391 -0.373 0.437 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -1.988 -0.698 -0.046 0.00 0.00 +0.041 C ENDBRANCH 13 15 ENDBRANCH 2 13 TORSDOF 4