REMARK Name = BDB025732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.363 -1.000 -0.428 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.779 0.226 -0.823 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.589 0.304 -1.101 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.414 -0.832 -0.999 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.813 -2.038 -0.604 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.547 -3.156 -0.494 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.549 -2.129 -0.320 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.102 -2.889 2.946 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.907 -2.609 1.450 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.142 -2.660 0.624 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.395 -2.388 1.311 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.997 -1.977 -0.691 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.676 -0.598 -0.801 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.508 -1.853 -1.128 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.754 -1.025 -0.157 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.076 -1.307 1.267 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.857 -0.743 -1.297 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.818 -1.270 -0.414 0.00 0.00 +0.013 A ATOM 19 C LIG 1 5.197 -1.181 -0.677 0.00 0.00 -0.033 A ATOM 20 C LIG 1 5.616 -0.563 -1.861 0.00 0.00 +0.005 A ATOM 21 C LIG 1 4.683 -0.034 -2.750 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.319 -0.121 -2.468 0.00 0.00 +0.008 A BRANCH 19 23 ATOM 23 C LIG 1 6.203 -1.758 0.298 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 N LIG 1 6.698 -0.868 1.369 0.00 0.00 -0.294 NA ATOM 25 C LIG 1 5.622 -0.413 2.250 0.00 0.00 +0.105 C BRANCH 24 26 ATOM 26 C LIG 1 7.429 0.297 0.830 0.00 0.00 +0.108 C ATOM 27 C LIG 1 8.779 -0.117 0.214 0.00 0.00 +0.181 C ATOM 28 O LIG 1 9.480 0.863 1.029 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 8.326 0.931 1.912 0.00 0.00 +0.181 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.669 1.317 -0.898 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.614 1.046 -0.627 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.411 2.601 -1.302 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.355 3.055 -1.722 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.625 3.467 -1.255 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.311 3.847 -0.024 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.400 4.640 -0.097 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.901 5.122 -1.408 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.899 5.825 -1.485 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.174 4.729 -2.504 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.502 5.074 -3.399 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.061 3.928 -2.438 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.764 3.380 1.289 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.437 3.616 1.417 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.959 2.048 1.459 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.368 3.988 2.344 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 8