REMARK Name = BDB034477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.858 -1.659 -1.268 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.052 -0.228 -1.775 0.00 0.00 +0.103 C BRANCH 2 3 ATOM 3 N LIG 1 -2.005 0.537 -0.976 0.00 0.00 -0.343 N ATOM 4 H LIG 1 -1.667 0.702 -0.032 0.00 0.00 +0.146 HD BRANCH 3 10 ATOM 5 F LIG 1 -6.894 2.538 2.700 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -6.033 2.019 1.815 0.00 0.00 +0.125 A ATOM 7 C LIG 1 -6.506 1.219 0.785 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -5.643 0.670 -0.149 0.00 0.00 +0.075 A ATOM 9 C LIG 1 -4.249 0.914 -0.046 0.00 0.00 +0.021 A ATOM 10 C LIG 1 -3.391 0.308 -1.013 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -3.990 -0.405 -2.053 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -5.362 -0.575 -2.059 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -3.796 1.749 1.010 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -6.185 -0.070 -1.124 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 -4.684 2.295 1.936 0.00 0.00 +0.039 A ENDBRANCH 3 10 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -0.360 -1.778 0.179 0.00 0.00 +0.083 C BRANCH 16 17 ATOM 17 N LIG 1 0.911 -1.125 0.479 0.00 0.00 -0.312 NA ATOM 18 H LIG 1 0.905 -0.146 0.200 0.00 0.00 +0.122 HD BRANCH 17 19 ATOM 19 C LIG 1 2.062 -1.796 -0.119 0.00 0.00 +0.116 C BRANCH 19 20 ATOM 20 C LIG 1 3.341 -1.085 0.256 0.00 0.00 -0.033 A ATOM 21 C LIG 1 4.050 -0.332 -0.689 0.00 0.00 +0.008 A ATOM 22 C LIG 1 5.231 0.332 -0.336 0.00 0.00 +0.046 A ATOM 23 C LIG 1 5.719 0.256 0.969 0.00 0.00 +0.130 A ATOM 24 C LIG 1 5.010 -0.490 1.915 0.00 0.00 +0.046 A ATOM 25 C LIG 1 3.832 -1.153 1.565 0.00 0.00 +0.008 A BRANCH 23 26 ATOM 26 O LIG 1 6.850 0.849 1.451 0.00 0.00 -0.406 OA BRANCH 26 27 ATOM 27 C LIG 1 7.623 1.624 0.552 0.00 0.00 +0.575 C ATOM 28 F LIG 1 8.692 2.120 1.215 0.00 0.00 -0.133 F ATOM 29 F LIG 1 8.080 0.873 -0.473 0.00 0.00 -0.133 F ATOM 30 F LIG 1 6.913 2.664 0.067 0.00 0.00 -0.133 F ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9