REMARK Name = BDB008883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.424 -0.918 2.000 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.214 -1.527 0.844 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.669 -0.657 -0.285 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -1.403 0.823 -0.281 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -2.224 1.589 -1.324 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -2.230 0.859 -2.661 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -2.817 -0.546 -2.515 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -2.325 -1.265 -1.289 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -2.594 -2.724 -1.228 0.00 0.00 +0.268 A ATOM 10 O LIG 1 -3.205 -3.307 -2.117 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 -2.123 -3.373 -0.120 0.00 0.00 -0.243 N ATOM 12 H LIG 1 -2.296 -4.371 -0.059 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 -1.437 -2.807 0.908 0.00 0.00 -0.175 NA ENDBRANCH 1 2 BRANCH 1 19 ATOM 14 C LIG 1 2.857 1.016 1.613 0.00 0.00 +0.002 A ATOM 15 C LIG 1 3.660 0.038 1.022 0.00 0.00 +0.128 A ATOM 16 F LIG 1 4.930 0.320 0.700 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.169 -1.235 0.755 0.00 0.00 +0.039 A ATOM 18 C LIG 1 1.847 -1.548 1.072 0.00 0.00 +0.007 A ATOM 19 C LIG 1 1.007 -0.582 1.644 0.00 0.00 -0.041 A ATOM 20 C LIG 1 1.525 0.694 1.921 0.00 0.00 +0.011 A BRANCH 14 21 ATOM 21 C LIG 1 3.398 2.392 1.886 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 3.121 3.308 0.785 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 2.127 3.286 0.568 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 3.599 2.963 -0.048 0.00 0.00 +0.119 HD ENDBRANCH 21 22 ENDBRANCH 14 21 ENDBRANCH 1 19 TORSDOF 4