REMARK Name = BDB025767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.556 -0.688 -0.673 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.856 0.500 -0.356 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.542 0.517 -0.340 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.281 -0.645 -0.625 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.570 -1.811 -0.942 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.215 -2.954 -1.222 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.825 -1.841 -0.963 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.119 -3.142 1.340 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.532 -2.517 0.067 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.615 -2.052 -0.842 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.311 -3.171 -1.483 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.122 -1.089 -1.864 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.744 0.281 -1.560 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.577 -0.991 -1.972 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.971 -0.657 -0.668 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.566 -1.371 0.490 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.762 -0.611 -0.616 0.00 0.00 -0.039 C ATOM 18 C LIG 1 3.512 -1.352 -1.697 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.969 -0.876 -1.827 0.00 0.00 +0.089 C ATOM 20 N LIG 1 5.625 -0.845 -0.512 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 4.957 0.127 0.370 0.00 0.00 +0.112 C ATOM 22 C LIG 1 3.454 0.062 0.324 0.00 0.00 -0.007 C BRANCH 20 23 ATOM 23 C LIG 1 7.058 -0.544 -0.656 0.00 0.00 +0.120 C BRANCH 23 24 ATOM 24 C LIG 1 7.843 -0.725 0.628 0.00 0.00 -0.033 A ATOM 25 C LIG 1 8.590 0.335 1.165 0.00 0.00 +0.008 A ATOM 26 C LIG 1 9.320 0.159 2.341 0.00 0.00 +0.038 A ATOM 27 C LIG 1 9.306 -1.075 2.980 0.00 0.00 +0.123 A ATOM 28 F LIG 1 10.007 -1.241 4.110 0.00 0.00 -0.205 F ATOM 29 C LIG 1 8.575 -2.139 2.466 0.00 0.00 +0.038 A ATOM 30 C LIG 1 7.846 -1.966 1.289 0.00 0.00 +0.008 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.669 1.617 -0.071 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.659 1.382 -0.124 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.283 2.895 0.239 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.147 3.346 0.294 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.450 3.791 0.476 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.306 3.712 1.654 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.339 4.571 1.773 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -4.605 5.586 0.724 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -5.548 6.360 0.816 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -3.732 5.592 -0.335 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -3.903 6.297 -1.044 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.675 4.725 -0.462 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.987 2.703 2.712 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.753 2.864 3.824 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.215 1.438 2.278 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -1.698 2.765 3.122 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7