REMARK Name = BDB026277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.738 -1.040 -0.193 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.219 0.275 -0.145 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.160 0.498 -0.217 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.058 -0.576 -0.346 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.526 -1.872 -0.385 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.332 -2.938 -0.510 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.847 -2.109 -0.314 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.525 -3.022 2.259 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.134 -2.123 1.078 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.735 -2.592 -0.204 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.199 -2.558 -0.185 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.239 -1.753 -1.325 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.698 -1.704 -1.409 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.148 -1.207 -0.125 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.576 -2.073 1.000 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.519 -0.329 -0.408 0.00 0.00 -0.038 C ATOM 17 C LIG 1 3.435 -1.255 0.352 0.00 0.00 +0.054 C ATOM 18 C LIG 1 4.796 -0.612 0.623 0.00 0.00 +0.116 C ATOM 19 N LIG 1 5.336 0.020 -0.579 0.00 0.00 -0.263 N ATOM 20 C LIG 1 6.692 0.066 -0.849 0.00 0.00 +0.403 C ATOM 21 O LIG 1 7.198 0.776 -1.710 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 4.499 1.002 -1.247 0.00 0.00 +0.138 C ATOM 23 C LIG 1 3.036 0.687 -1.126 0.00 0.00 -0.004 C BRANCH 20 24 ATOM 24 O LIG 1 7.419 -0.763 -0.049 0.00 0.00 -0.447 OA BRANCH 24 25 ATOM 25 C LIG 1 8.844 -0.748 -0.283 0.00 0.00 +0.189 C ATOM 26 C LIG 1 9.666 -1.642 0.666 0.00 0.00 +0.120 C ATOM 27 C LIG 1 9.965 -0.390 1.512 0.00 0.00 +0.256 C ATOM 28 F LIG 1 9.157 -0.206 2.580 0.00 0.00 -0.205 F ATOM 29 F LIG 1 11.235 -0.283 1.963 0.00 0.00 -0.205 F ATOM 30 C LIG 1 9.626 0.460 0.273 0.00 0.00 +0.120 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -2.182 1.300 -0.022 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.127 0.919 0.015 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.972 2.651 0.096 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -0.906 3.248 0.153 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.214 3.449 0.220 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.180 3.504 -0.801 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -5.336 4.276 -0.582 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -5.495 4.986 0.605 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -6.601 5.718 0.788 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -4.524 4.953 1.597 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -3.377 4.185 1.404 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -4.008 2.764 -2.099 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.764 2.864 -2.631 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.269 1.434 -1.964 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.858 3.199 -3.073 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7