REMARK Name = BDB004634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.717 0.081 1.587 0.00 0.00 +0.066 A ATOM 2 C LIG 1 -2.796 -0.324 0.596 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -1.877 0.636 0.127 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -0.952 0.207 -0.849 0.00 0.00 +0.130 A ATOM 5 N LIG 1 -0.975 -1.037 -1.349 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -1.886 -1.869 -0.850 0.00 0.00 +0.223 A ATOM 7 C LIG 1 -1.917 1.959 0.631 0.00 0.00 +0.058 A ATOM 8 C LIG 1 -2.834 2.325 1.600 0.00 0.00 +0.118 A ATOM 9 N LIG 1 -2.783 -1.580 0.099 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -3.732 1.397 2.087 0.00 0.00 +0.060 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -4.779 -2.131 1.759 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -4.144 -2.465 1.039 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -5.479 -2.752 2.139 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 -4.741 -0.837 2.180 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -5.535 -0.444 3.029 0.00 0.00 -0.270 OA ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 N LIG 1 -0.009 1.123 -1.356 0.00 0.00 -0.324 N ATOM 17 H LIG 1 0.462 1.580 -0.580 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 0.963 0.627 -2.326 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 2.236 0.193 -1.633 0.00 0.00 -0.030 A ATOM 20 C LIG 1 2.429 -1.145 -1.268 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.594 -1.542 -0.608 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.588 -0.604 -0.290 0.00 0.00 +0.055 A ATOM 23 C LIG 1 4.395 0.736 -0.657 0.00 0.00 +0.013 A ATOM 24 C LIG 1 3.229 1.131 -1.316 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 5.857 -1.036 0.403 0.00 0.00 +0.417 C ATOM 26 F LIG 1 6.837 -1.377 -0.479 0.00 0.00 -0.166 F ATOM 27 F LIG 1 6.389 -0.064 1.196 0.00 0.00 -0.166 F ATOM 28 F LIG 1 5.686 -2.120 1.210 0.00 0.00 -0.166 F ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 4 16 BRANCH 8 29 ATOM 29 O LIG 1 -2.817 3.610 2.047 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -3.523 3.728 2.706 0.00 0.00 +0.292 HD ENDBRANCH 8 29 TORSDOF 6