REMARK Name = BDB025758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.728 0.234 0.260 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.682 0.151 0.394 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.481 1.296 0.285 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.911 2.562 0.061 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.485 2.625 -0.053 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.094 3.804 -0.259 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.292 1.490 0.043 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 5.125 -0.984 1.535 0.00 0.00 +0.026 C ATOM 9 C LIG 1 4.010 -0.675 0.521 0.00 0.00 +0.071 C ATOM 10 N LIG 1 4.203 -1.407 -0.768 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 5.447 -0.996 -1.431 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.018 -1.189 -1.653 0.00 0.00 +0.071 C ATOM 13 C LIG 1 3.119 -1.966 -2.976 0.00 0.00 +0.026 C ATOM 14 C LIG 1 1.694 -1.621 -0.964 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.478 -0.953 0.336 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.654 -0.994 1.221 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -1.759 3.765 -0.047 0.00 0.00 -0.015 A ATOM 18 C LIG 1 -2.776 4.023 0.889 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.586 5.159 0.788 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -3.398 6.078 -0.252 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -2.394 5.827 -1.196 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -1.586 4.689 -1.091 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -4.283 7.293 -0.377 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -5.371 7.064 -1.163 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -4.771 7.728 0.819 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -3.645 8.365 -0.926 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 27 ATOM 27 N LIG 1 -1.194 -1.137 0.666 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -0.452 -1.832 0.729 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -2.490 -1.500 0.927 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -3.478 -0.779 0.975 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.622 -2.952 1.233 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -2.508 -4.006 0.232 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -2.660 -5.291 0.611 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -2.936 -5.636 2.028 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -3.061 -6.800 2.383 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -3.039 -4.573 2.890 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -3.246 -4.806 3.855 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -2.894 -3.262 2.511 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -2.258 -3.625 -1.193 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.359 -4.686 -2.036 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.126 -2.690 -1.647 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.005 -3.130 -1.359 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 6