REMARK Name = BDB026282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.411 -1.362 -0.332 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.927 -0.068 -0.032 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.442 0.210 -0.089 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.374 -0.788 -0.432 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.869 -2.067 -0.719 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.705 -3.067 -1.036 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.495 -2.356 -0.679 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.528 -1.680 1.038 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.713 -2.920 0.626 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.070 -3.509 -0.692 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.479 -3.411 -1.038 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.093 -3.187 -1.764 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.609 -3.358 -3.200 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.421 -1.792 -1.616 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.808 -1.586 -0.276 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.195 -2.601 0.733 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.821 -0.489 -0.484 0.00 0.00 -0.010 A ATOM 18 C LIG 1 3.631 -0.958 -1.529 0.00 0.00 +0.048 A ATOM 19 C LIG 1 5.001 -0.678 -1.569 0.00 0.00 +0.139 A ATOM 20 F LIG 1 5.697 -1.146 -2.615 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.610 0.085 -0.577 0.00 0.00 +0.107 A ATOM 22 C LIG 1 4.810 0.563 0.459 0.00 0.00 +0.139 A ATOM 23 F LIG 1 5.333 1.305 1.447 0.00 0.00 -0.205 F ATOM 24 C LIG 1 3.442 0.282 0.511 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 7.069 0.341 -0.628 0.00 0.00 +0.250 C ATOM 26 N LIG 1 7.525 1.476 0.009 0.00 0.00 -0.311 N ATOM 27 H LIG 1 6.890 2.007 0.592 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 7.815 -0.441 -1.207 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 8.934 1.762 0.147 0.00 0.00 +0.108 C BRANCH 29 30 ATOM 30 C LIG 1 9.398 1.281 1.484 0.00 0.00 +0.006 C ATOM 31 C LIG 1 10.545 1.958 2.189 0.00 0.00 +0.005 C ATOM 32 C LIG 1 9.146 2.097 2.727 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 33 ATOM 33 N LIG 1 -1.915 0.878 0.313 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -2.851 0.479 0.258 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 -1.742 2.167 0.743 0.00 0.00 +0.250 C ATOM 36 O LIG 1 -0.688 2.752 0.954 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.039 2.849 1.015 0.00 0.00 +0.065 A ATOM 38 C LIG 1 -3.979 3.246 -0.026 0.00 0.00 +0.073 A ATOM 39 C LIG 1 -5.119 3.874 0.323 0.00 0.00 +0.083 A ATOM 40 C LIG 1 -5.426 4.152 1.748 0.00 0.00 +0.249 A ATOM 41 O LIG 1 -6.467 4.703 2.076 0.00 0.00 -0.268 OA ATOM 42 N LIG 1 -4.475 3.747 2.650 0.00 0.00 -0.328 N ATOM 43 H LIG 1 -4.679 3.948 3.623 0.00 0.00 +0.168 HD ATOM 44 C LIG 1 -3.305 3.119 2.301 0.00 0.00 +0.099 A BRANCH 38 45 ATOM 45 C LIG 1 -3.633 2.969 -1.456 0.00 0.00 +0.418 C ATOM 46 F LIG 1 -4.492 3.572 -2.320 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.695 1.639 -1.729 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -2.391 3.394 -1.788 0.00 0.00 -0.166 F ENDBRANCH 38 45 ENDBRANCH 35 37 ENDBRANCH 2 33 TORSDOF 8