REMARK Name = BDB026183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.004 -1.508 0.844 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.755 -0.269 0.209 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.553 0.202 0.058 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.649 -0.543 0.529 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.375 -1.765 1.165 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.382 -2.520 1.626 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.077 -2.248 1.323 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.793 -2.809 3.749 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.293 -2.603 2.319 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.566 -3.842 1.539 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.798 -3.704 0.757 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.422 -4.217 0.678 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.670 -3.049 -0.003 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.343 -1.953 0.945 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.795 -2.189 2.336 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.023 -0.062 0.352 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.970 -0.055 1.356 0.00 0.00 +0.124 A ATOM 18 N LIG 1 5.242 0.378 1.210 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.621 0.836 0.004 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.775 0.866 -1.036 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.511 0.428 -0.842 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.950 1.277 -0.145 0.00 0.00 -0.292 N ATOM 23 C LIG 1 7.324 1.726 -1.511 0.00 0.00 +0.099 C ATOM 24 C LIG 1 6.644 3.050 -1.891 0.00 0.00 +0.030 C ATOM 25 C LIG 1 8.854 1.976 -1.593 0.00 0.00 +0.182 C ATOM 26 O LIG 1 9.621 0.855 -1.135 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 9.314 0.606 0.242 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.840 0.234 0.415 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.905 0.427 -0.223 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.758 -0.081 0.015 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.978 1.628 -0.881 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.043 2.308 -1.283 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.383 2.057 -1.157 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.378 2.319 -0.127 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.612 2.708 -0.499 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.975 2.878 -1.931 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -7.121 3.204 -2.216 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.952 2.648 -2.845 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.212 2.835 -4.265 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.687 2.244 -2.451 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -4.001 2.193 1.316 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.863 0.892 1.674 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.839 2.821 1.611 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.944 2.712 2.144 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6