REMARK Name = BDB019860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.538 -0.607 1.363 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.921 -1.869 1.680 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -2.220 -2.191 1.508 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.166 -1.274 1.052 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.765 0.026 0.726 0.00 0.00 -0.023 A ATOM 6 C LIG 1 -1.419 0.364 0.900 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.567 -3.576 1.858 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.998 -4.527 0.902 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -3.326 -5.831 1.326 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -3.205 -6.189 2.663 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -3.518 -7.435 3.042 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.758 -5.279 3.606 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.438 -3.982 3.204 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -3.118 -4.183 -0.564 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -2.026 -3.557 -1.075 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.177 -3.360 -0.813 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -3.318 -5.274 -1.358 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 1.464 0.575 0.632 0.00 0.00 -0.302 N ATOM 19 H LIG 1 0.966 0.833 -0.213 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 0.916 -0.292 1.552 0.00 0.00 +0.263 C ATOM 21 O LIG 1 1.558 -0.795 2.468 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 2.870 0.930 0.627 0.00 0.00 +0.125 C BRANCH 22 26 ATOM 23 C LIG 1 6.609 0.861 -2.765 0.00 0.00 +0.044 C ATOM 24 C LIG 1 5.158 1.015 -2.423 0.00 0.00 -0.047 A ATOM 25 C LIG 1 4.720 0.883 -1.103 0.00 0.00 +0.028 A ATOM 26 C LIG 1 3.367 1.062 -0.811 0.00 0.00 +0.062 A ATOM 27 N LIG 1 2.449 1.381 -1.770 0.00 0.00 -0.258 NA ATOM 28 C LIG 1 2.900 1.515 -3.034 0.00 0.00 +0.111 A ATOM 29 C LIG 1 4.225 1.350 -3.404 0.00 0.00 +0.023 A ENDBRANCH 22 26 BRANCH 22 30 ATOM 30 C LIG 1 3.026 2.256 1.333 0.00 0.00 +0.015 C ATOM 31 C LIG 1 3.017 2.329 2.842 0.00 0.00 +0.006 C ATOM 32 C LIG 1 4.289 2.595 2.088 0.00 0.00 +0.006 C ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -3.767 1.037 0.212 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 N LIG 1 -3.342 1.610 -1.048 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -2.667 2.829 -1.204 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -2.375 3.726 -0.333 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -2.740 3.465 0.581 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -2.334 2.865 -2.561 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -1.477 3.874 -3.132 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -2.743 1.696 -3.182 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -3.362 0.936 -2.268 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8