REMARK Name = BDB026113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.705 -0.771 0.601 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.051 0.470 0.397 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.343 0.567 0.487 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.134 -0.559 0.781 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.466 -1.776 0.981 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.163 -2.892 1.249 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.922 -1.887 0.895 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.381 -3.169 -2.318 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.893 -2.784 -0.917 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.807 -3.258 0.158 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.181 -2.775 0.025 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.237 -2.870 1.467 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.863 -1.378 1.621 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.109 -0.819 0.478 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.576 -1.264 -0.858 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.600 -0.454 0.870 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.356 0.235 -0.076 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.707 0.369 -0.055 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 5.392 -0.204 0.955 0.00 0.00 +0.121 A ATOM 20 C LIG 1 4.720 -0.907 1.954 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.329 -1.032 1.911 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 N LIG 1 6.793 -0.090 1.013 0.00 0.00 -0.313 N ATOM 23 C LIG 1 7.368 0.914 0.091 0.00 0.00 +0.121 C ATOM 24 C LIG 1 7.834 0.263 -1.228 0.00 0.00 +0.100 C ATOM 25 N LIG 1 8.857 -0.798 -1.065 0.00 0.00 -0.313 NA ATOM 26 H LIG 1 8.626 -1.548 -1.716 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 8.856 -1.331 0.311 0.00 0.00 +0.100 C ATOM 28 C LIG 1 7.460 -1.412 0.969 0.00 0.00 +0.121 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.897 1.568 0.120 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.879 1.297 0.123 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.545 2.882 -0.060 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.431 3.383 -0.012 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.692 3.786 -0.298 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -3.468 3.718 -1.468 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -4.547 4.610 -1.603 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -4.813 5.549 -0.610 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -5.843 6.390 -0.761 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.025 5.630 0.531 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.957 4.749 0.688 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.174 2.721 -2.555 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.859 2.621 -2.872 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.589 1.468 -2.220 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.812 3.010 -3.725 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6