REMARK Name = BDB025905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.314 -0.959 0.413 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.734 0.250 -0.033 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.646 0.339 -0.248 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.493 -0.763 -0.018 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.891 -1.951 0.425 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.643 -3.036 0.673 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.483 -2.058 0.637 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.976 -1.545 3.663 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.603 -1.449 2.182 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.057 -2.686 1.488 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.412 -2.522 0.959 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.116 -3.089 0.418 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.417 -1.924 -0.317 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.717 -1.002 0.616 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.075 -1.194 2.044 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.944 -0.663 -0.238 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.696 0.441 0.109 0.00 0.00 +0.124 A ATOM 18 N LIG 1 5.030 0.560 -0.083 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.676 -0.470 -0.652 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.040 -1.588 -1.028 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.706 -1.660 -0.814 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.032 -0.357 -0.882 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.727 0.759 -0.238 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.223 0.700 -0.582 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.866 -0.512 -0.153 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.978 -1.640 -0.095 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.818 -1.575 -1.102 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.636 1.314 -0.249 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.599 1.031 -0.069 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.345 2.614 -0.580 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -0.242 3.129 -0.696 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.535 3.481 -0.747 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -3.519 3.235 -1.721 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -4.621 4.107 -1.791 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -4.711 5.198 -0.931 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -5.767 6.017 -1.019 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.723 5.455 0.009 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -2.627 4.598 0.100 0.00 0.00 +0.016 A BRANCH 33 39 ATOM 39 C LIG 1 -3.420 2.077 -2.677 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -3.746 0.897 -2.081 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.184 1.912 -3.215 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.269 2.191 -3.738 0.00 0.00 -0.166 F ENDBRANCH 33 39 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6