REMARK Name = BDB025877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.839 -2.244 0.184 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -0.595 -2.760 0.573 0.00 0.00 +0.133 A ATOM 3 F LIG 1 -0.461 -4.074 0.812 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.528 -1.948 0.717 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.437 -0.575 0.475 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.814 -0.035 0.088 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -1.933 -0.862 -0.050 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 1.549 0.304 0.574 0.00 0.00 -0.325 N ATOM 9 C LIG 1 2.280 0.229 1.867 0.00 0.00 +0.123 C ATOM 10 C LIG 1 3.784 -0.166 1.753 0.00 0.00 +0.071 C ATOM 11 C LIG 1 4.684 1.070 1.607 0.00 0.00 +0.026 C ATOM 12 N LIG 1 4.004 -1.196 0.730 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 5.294 -1.861 0.790 0.00 0.00 +0.105 C ATOM 14 C LIG 1 3.487 -0.866 -0.613 0.00 0.00 +0.071 C ATOM 15 C LIG 1 4.561 -0.517 -1.657 0.00 0.00 +0.026 C ATOM 16 C LIG 1 2.402 0.254 -0.635 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 C LIG 1 -3.231 -2.704 -2.464 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -3.681 -3.339 -1.175 0.00 0.00 -0.039 A ATOM 19 C LIG 1 -3.016 -3.116 0.048 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -3.530 -3.773 1.172 0.00 0.00 +0.121 A ATOM 21 N LIG 1 -4.617 -4.582 1.177 0.00 0.00 -0.244 NA ATOM 22 C LIG 1 -5.242 -4.757 -0.008 0.00 0.00 +0.140 A ATOM 23 C LIG 1 -4.818 -4.163 -1.190 0.00 0.00 +0.043 A BRANCH 22 24 ATOM 24 C LIG 1 -6.397 -5.612 0.007 0.00 0.00 +0.119 C ATOM 25 N LIG 1 -7.336 -6.298 -0.028 0.00 0.00 -0.189 NA ENDBRANCH 22 24 ENDBRANCH 1 19 BRANCH 6 26 ATOM 26 N LIG 1 -0.835 1.360 -0.116 0.00 0.00 -0.280 N ATOM 27 H LIG 1 0.063 1.788 0.103 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.889 2.148 -0.504 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -3.028 1.799 -0.779 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.525 3.592 -0.560 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.074 4.569 0.374 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -1.702 5.860 0.270 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -0.760 6.292 -0.792 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -0.412 7.460 -0.896 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -0.310 5.301 -1.629 0.00 0.00 -0.328 N ATOM 36 H LIG 1 0.321 5.603 -2.364 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -0.680 3.984 -1.527 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -3.014 4.093 1.441 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.504 3.045 2.137 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.267 5.065 2.360 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -4.215 3.716 0.947 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 6