REMARK Name = BDB026179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.164 -0.087 0.127 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.619 -1.376 0.056 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.417 -2.451 0.143 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.248 -1.597 -0.084 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.639 -0.524 -0.153 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.105 0.789 -0.087 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.272 0.996 0.052 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.033 -0.673 -0.261 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.571 -1.577 -1.294 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.872 -3.025 -0.802 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.626 -3.740 -1.937 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.625 -3.073 0.489 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.793 -4.455 0.954 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.925 -2.238 1.512 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.679 -2.189 2.851 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.739 -0.771 1.033 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 22 ATOM 17 C LIG 1 5.923 -0.288 -0.456 0.00 0.00 +0.072 A ATOM 18 C LIG 1 6.382 0.575 0.539 0.00 0.00 +0.136 A ATOM 19 F LIG 1 7.693 0.810 0.708 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.491 1.219 1.392 0.00 0.00 +0.040 A ATOM 21 C LIG 1 4.118 1.003 1.258 0.00 0.00 +0.011 A ATOM 22 C LIG 1 3.615 0.137 0.272 0.00 0.00 -0.014 A ATOM 23 C LIG 1 4.539 -0.501 -0.578 0.00 0.00 +0.024 A BRANCH 17 27 ATOM 24 C LIG 1 9.144 -1.459 -2.101 0.00 0.00 +0.128 C ATOM 25 N LIG 1 8.185 -0.757 -1.287 0.00 0.00 -0.314 N ATOM 26 H LIG 1 8.527 -0.190 -0.519 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 6.833 -0.997 -1.401 0.00 0.00 +0.247 C ATOM 28 O LIG 1 6.367 -1.762 -2.240 0.00 0.00 -0.270 OA ENDBRANCH 17 27 ENDBRANCH 1 22 BRANCH 6 29 ATOM 29 N LIG 1 -1.046 1.836 -0.206 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.989 1.481 -0.355 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.821 3.188 -0.186 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.242 3.774 -0.035 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.067 3.971 -0.415 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.090 4.176 0.604 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.178 4.913 0.302 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.340 5.507 -1.049 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.330 6.167 -1.335 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.318 5.265 -1.933 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.420 5.684 -2.851 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.203 4.523 -1.631 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.883 3.582 1.961 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.941 2.226 1.921 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.690 3.919 2.506 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.837 3.975 2.846 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6