REMARK Name = BDB019667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.389 -1.594 -0.021 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -0.071 -1.512 -0.314 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 0.719 -0.840 0.570 0.00 0.00 +0.126 A ATOM 4 C LIG 1 0.251 -0.237 1.728 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.113 -0.326 2.017 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.942 -1.008 1.118 0.00 0.00 +0.033 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.794 -4.179 0.637 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.885 -3.521 -0.714 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -2.209 -2.312 -1.009 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -2.319 -1.776 -2.310 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -3.099 -2.398 -3.286 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -3.775 -3.566 -2.972 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -4.529 -4.164 -3.903 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -3.677 -4.128 -1.704 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 2.171 -0.755 0.212 0.00 0.00 +0.263 C ATOM 16 N LIG 1 2.510 -1.464 -0.922 0.00 0.00 -0.304 N ATOM 17 H LIG 1 1.722 -1.842 -1.442 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 2.960 -0.094 0.876 0.00 0.00 -0.269 OA BRANCH 16 19 ATOM 19 C LIG 1 3.789 -1.307 -1.582 0.00 0.00 +0.100 C ATOM 20 C LIG 1 4.244 -2.639 -2.179 0.00 0.00 +0.033 C BRANCH 19 21 ATOM 21 C LIG 1 3.698 -0.179 -2.600 0.00 0.00 -0.027 A ATOM 22 C LIG 1 4.125 1.113 -2.234 0.00 0.00 +0.020 A ATOM 23 C LIG 1 4.029 2.193 -3.127 0.00 0.00 +0.090 A ATOM 24 C LIG 1 3.487 1.967 -4.388 0.00 0.00 +0.135 A ATOM 25 F LIG 1 3.374 2.978 -5.260 0.00 0.00 -0.205 F ATOM 26 C LIG 1 3.045 0.705 -4.768 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.143 -0.364 -3.876 0.00 0.00 +0.008 A BRANCH 23 28 ATOM 28 C LIG 1 4.472 3.575 -2.757 0.00 0.00 +0.420 C ATOM 29 F LIG 1 5.056 3.642 -1.527 0.00 0.00 -0.166 F ATOM 30 F LIG 1 5.391 4.089 -3.622 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.443 4.468 -2.721 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 C LIG 1 -1.681 0.336 3.247 0.00 0.00 +0.138 C BRANCH 32 33 ATOM 33 N LIG 1 -1.765 1.762 3.028 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -1.866 2.065 2.067 0.00 0.00 +0.147 HD BRANCH 33 35 ATOM 35 C LIG 1 -2.189 2.609 4.011 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -2.455 4.053 3.683 0.00 0.00 +0.073 C ATOM 37 C LIG 1 -3.320 4.422 4.862 0.00 0.00 +0.031 C ATOM 38 C LIG 1 -2.800 3.498 5.946 0.00 0.00 +0.143 C ATOM 39 N LIG 1 -2.377 2.268 5.249 0.00 0.00 -0.273 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8