REMARK Name = BDB025829 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.446 -0.379 0.404 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.813 -1.621 0.557 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.544 -2.740 0.676 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.425 -1.748 0.598 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.393 -0.621 0.490 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.227 0.645 0.343 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.622 0.756 0.294 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.803 -0.694 0.487 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.421 -1.518 1.544 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.954 -1.615 1.320 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.580 -2.366 2.502 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.319 -2.293 0.047 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.650 -1.878 -0.407 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.312 -2.094 -1.027 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.516 -3.395 -1.192 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.379 -0.861 -0.869 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 C LIG 1 6.093 -0.941 -0.488 0.00 0.00 +0.139 A ATOM 18 C LIG 1 4.704 -1.077 -0.459 0.00 0.00 +0.057 A ATOM 19 C LIG 1 3.913 -0.257 0.359 0.00 0.00 +0.006 A ATOM 20 C LIG 1 4.599 0.687 1.126 0.00 0.00 +0.119 A ATOM 21 N LIG 1 5.944 0.852 1.131 0.00 0.00 -0.259 NA ATOM 22 C LIG 1 6.657 0.034 0.322 0.00 0.00 +0.156 A BRANCH 17 23 ATOM 23 O LIG 1 6.748 -1.797 -1.326 0.00 0.00 -0.491 OA BRANCH 23 25 ATOM 24 C LIG 1 8.689 -2.722 -2.354 0.00 0.00 +0.048 C ATOM 25 C LIG 1 8.171 -1.686 -1.373 0.00 0.00 +0.226 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 19 BRANCH 6 26 ATOM 26 N LIG 1 -0.649 1.749 0.275 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.624 1.466 0.351 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.335 3.081 0.186 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.774 3.595 0.160 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.549 3.942 0.160 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.376 4.127 -1.027 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -3.458 4.928 -0.954 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -3.808 5.614 0.315 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -4.797 6.330 0.395 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -2.958 5.388 1.369 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.186 5.872 2.231 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -1.851 4.579 1.302 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -1.977 3.438 -2.295 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -0.702 3.708 -2.660 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.091 2.090 -2.184 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.765 3.797 -3.343 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 7