REMARK Name = BDB045790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.030 -2.405 1.195 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -0.377 -2.562 1.212 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.909 -3.767 1.683 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.073 -4.787 2.148 0.00 0.00 +0.002 A ATOM 5 C LIG 1 1.307 -4.614 2.163 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.861 -3.425 1.692 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 2.838 -1.312 -0.024 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.165 -2.260 -0.159 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.641 -1.149 0.653 0.00 0.00 +0.250 C ATOM 10 O LIG 1 1.027 -0.097 0.797 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 4.119 1.969 -1.293 0.00 0.00 +0.061 A ATOM 12 C LIG 1 3.285 1.048 -0.648 0.00 0.00 +0.038 A ATOM 13 C LIG 1 3.612 -0.309 -0.648 0.00 0.00 +0.034 A ATOM 14 C LIG 1 4.779 -0.725 -1.306 0.00 0.00 +0.023 A ATOM 15 C LIG 1 5.605 0.195 -1.959 0.00 0.00 +0.003 A ATOM 16 C LIG 1 5.275 1.547 -1.958 0.00 0.00 +0.015 A BRANCH 11 18 ATOM 17 O LIG 1 2.611 3.788 -1.549 0.00 0.00 -0.245 OA ATOM 18 C LIG 1 3.734 3.396 -1.292 0.00 0.00 +0.337 C BRANCH 18 19 ATOM 19 O LIG 1 4.759 4.206 -0.952 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 5.547 3.738 -0.618 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 2 21 ATOM 21 N LIG 1 -1.198 -1.490 0.781 0.00 0.00 -0.281 N ATOM 22 H LIG 1 -0.685 -0.634 0.560 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 -2.567 -1.469 0.620 0.00 0.00 +0.248 C ATOM 24 O LIG 1 -3.328 -2.425 0.702 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -3.142 -0.137 0.268 0.00 0.00 +0.038 A ATOM 26 C LIG 1 -2.602 1.059 0.762 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -3.179 2.295 0.424 0.00 0.00 +0.056 A ATOM 28 C LIG 1 -4.314 2.312 -0.408 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.869 1.122 -0.906 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -4.279 -0.100 -0.550 0.00 0.00 +0.025 A BRANCH 27 31 ATOM 31 C LIG 1 -2.628 3.587 0.984 0.00 0.00 +0.417 C ATOM 32 F LIG 1 -1.348 3.481 1.430 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.631 4.598 0.073 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -3.359 4.034 2.042 0.00 0.00 -0.166 F ENDBRANCH 27 31 BRANCH 29 35 ATOM 35 C LIG 1 -6.106 1.147 -1.774 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -6.262 2.322 -2.445 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.246 0.973 -1.053 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -6.107 0.173 -2.725 0.00 0.00 -0.166 F ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 2 21 TORSDOF 8