REMARK Name = BDB026242 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.010 1.856 0.252 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.333 0.626 0.045 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.052 0.600 -0.167 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.826 1.777 -0.149 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.146 2.972 0.111 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.812 4.136 0.189 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.236 3.017 0.311 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.756 3.753 -2.272 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.786 2.949 -1.468 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.471 3.834 -0.493 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.774 3.291 -0.106 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.615 4.060 0.691 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.037 2.789 1.351 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.409 1.861 0.393 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.166 1.654 -0.869 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.286 1.718 -0.368 0.00 0.00 +0.076 A ATOM 17 N LIG 1 3.880 0.563 0.033 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 5.207 0.379 -0.142 0.00 0.00 +0.122 A ATOM 19 C LIG 1 5.986 1.389 -0.698 0.00 0.00 +0.044 A ATOM 20 C LIG 1 5.390 2.575 -1.115 0.00 0.00 +0.005 A ATOM 21 C LIG 1 4.021 2.739 -0.957 0.00 0.00 +0.028 A BRANCH 18 22 ATOM 22 N LIG 1 5.779 -0.817 0.285 0.00 0.00 -0.311 N ATOM 23 C LIG 1 6.787 -1.459 -0.578 0.00 0.00 +0.134 C ATOM 24 C LIG 1 6.424 -2.928 -0.856 0.00 0.00 +0.178 C ATOM 25 O LIG 1 6.273 -3.714 0.334 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 5.643 -2.996 1.409 0.00 0.00 +0.178 C ATOM 27 C LIG 1 4.861 -1.750 0.964 0.00 0.00 +0.134 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.125 -0.541 0.142 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.083 -0.331 0.410 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.735 -1.851 0.016 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.365 -2.293 -0.281 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.845 -2.795 0.320 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.855 -3.181 -0.649 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.813 -4.049 -0.278 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -3.858 -4.613 1.098 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -4.762 -5.388 1.392 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.845 -4.196 1.957 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -2.800 -4.721 3.314 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -1.859 -3.307 1.560 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.787 -2.606 -2.029 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.599 -2.832 -2.636 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.744 -3.119 -2.846 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.987 -1.263 -2.014 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6