REMARK Name = BDB025677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.390 -0.936 0.231 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.666 -2.121 0.427 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.308 -3.298 0.507 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.274 -2.136 0.525 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.455 -0.950 0.431 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.258 0.261 0.239 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.655 0.260 0.141 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.865 -0.910 0.480 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.512 -1.685 1.555 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.056 -1.658 1.383 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.699 -2.357 2.586 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.514 -2.303 0.124 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.826 -1.793 -0.283 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.533 -2.174 -0.986 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.845 -3.531 -1.185 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.504 -1.018 -0.855 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.631 -0.866 -0.159 0.00 0.00 +0.125 A ATOM 18 N LIG 1 5.877 -0.173 -1.025 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 4.528 -0.219 -0.870 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.859 -0.933 0.123 0.00 0.00 +0.003 A ATOM 21 C LIG 1 4.676 -1.642 1.008 0.00 0.00 +0.013 A ATOM 22 C LIG 1 6.066 -1.611 0.869 0.00 0.00 +0.044 A BRANCH 17 25 ATOM 23 C LIG 1 8.263 0.628 -2.241 0.00 0.00 +0.109 C ATOM 24 C LIG 1 8.834 -0.233 -1.148 0.00 0.00 +0.215 C ATOM 25 N LIG 1 8.023 -0.866 -0.256 0.00 0.00 -0.271 N ATOM 26 H LIG 1 8.542 -1.406 0.420 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 10.054 -0.384 -1.037 0.00 0.00 -0.276 OA ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -0.529 1.431 0.185 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.518 1.233 0.323 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.117 2.726 -0.003 0.00 0.00 +0.250 C ATOM 31 O LIG 1 1.022 3.141 -0.161 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.256 3.683 0.018 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.115 3.926 -1.134 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.126 4.812 -1.024 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -3.365 5.532 0.253 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -4.289 6.325 0.368 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.493 5.243 1.273 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -2.645 5.748 2.139 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -1.458 4.346 1.167 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.831 3.194 -2.408 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -0.565 3.380 -2.849 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.017 1.856 -2.264 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.654 3.581 -3.418 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 6