REMARK Name = BDB026029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.218 -0.100 0.208 0.00 0.00 +0.016 A ATOM 2 C LIG 1 0.759 -1.426 0.151 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.616 -2.454 0.239 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.593 -1.740 0.004 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.543 -0.725 -0.094 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.107 0.618 -0.043 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.252 0.918 0.108 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.929 -0.979 -0.233 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.290 -1.751 -1.448 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.004 -3.098 -1.128 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.361 -3.777 -2.457 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.215 -2.916 -0.283 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.702 -4.185 0.262 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.000 -1.927 0.810 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.895 -0.714 0.527 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.523 -1.498 1.019 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.152 -0.649 0.719 0.00 0.00 +0.403 C ATOM 18 N LIG 1 4.926 -0.057 0.605 0.00 0.00 -0.259 N ATOM 19 C LIG 1 3.715 -0.837 0.466 0.00 0.00 +0.147 C ATOM 20 C LIG 1 2.651 0.221 0.366 0.00 0.00 -0.022 C ATOM 21 C LIG 1 3.213 1.441 0.444 0.00 0.00 -0.002 C ATOM 22 C LIG 1 4.692 1.367 0.601 0.00 0.00 +0.139 C ATOM 23 O LIG 1 6.329 -1.861 0.712 0.00 0.00 -0.226 OA BRANCH 17 24 ATOM 24 O LIG 1 7.148 0.272 0.835 0.00 0.00 -0.450 OA BRANCH 24 25 ATOM 25 C LIG 1 8.479 -0.255 0.948 0.00 0.00 +0.236 C BRANCH 25 27 ATOM 26 C LIG 1 9.133 0.734 -1.288 0.00 0.00 +0.010 C ATOM 27 C LIG 1 9.082 -0.536 -0.435 0.00 0.00 +0.021 C ATOM 28 C LIG 1 10.477 -1.139 -0.294 0.00 0.00 +0.010 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 6 29 ATOM 29 N LIG 1 -2.126 1.586 -0.159 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.044 1.154 -0.260 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.007 2.952 -0.184 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.983 3.620 -0.129 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.325 3.627 -0.344 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.324 3.712 0.714 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.488 4.348 0.469 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.753 4.957 -0.858 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.811 5.525 -1.093 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.744 4.838 -1.781 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.918 5.268 -2.683 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.555 4.197 -1.538 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -4.011 3.117 2.051 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.958 3.414 2.981 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.955 1.762 1.992 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.830 3.549 2.553 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 8