REMARK Name = BDB026094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.778 0.563 0.811 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.175 -0.687 0.511 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.189 -0.775 0.201 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.009 0.366 0.189 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.403 1.587 0.514 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.125 2.719 0.519 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.955 1.689 0.825 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.196 1.798 -1.963 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.340 1.981 -0.699 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.017 2.823 0.336 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.337 4.157 -0.188 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.153 2.912 1.553 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.860 3.634 2.713 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.688 1.523 2.093 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.161 0.608 1.063 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.006 0.565 -0.154 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.442 0.268 -0.143 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.425 0.951 0.567 0.00 0.00 +0.121 A ATOM 19 N LIG 1 4.759 0.893 0.315 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.192 0.132 -0.711 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.280 -0.604 -1.465 0.00 0.00 +0.044 A ATOM 22 C LIG 1 2.912 -0.532 -1.186 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 6.558 0.056 -0.965 0.00 0.00 -0.311 N ATOM 24 C LIG 1 7.429 0.757 -0.006 0.00 0.00 +0.137 C ATOM 25 C LIG 1 8.903 0.547 -0.413 0.00 0.00 +0.132 C ATOM 26 C LIG 1 9.851 1.201 0.582 0.00 0.00 +0.039 C ATOM 27 O LIG 1 9.214 1.074 -1.720 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 8.068 1.191 -2.574 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.020 0.084 -2.364 0.00 0.00 +0.134 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.021 -1.814 0.600 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.952 -1.571 0.930 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.756 -3.110 0.239 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.744 -3.549 -0.294 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.908 -4.027 0.489 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.531 -4.785 -0.592 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.547 -5.624 -0.312 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.029 -5.787 1.082 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.948 -6.547 1.354 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.380 -5.033 2.030 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.704 -5.155 2.983 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.342 -4.179 1.752 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.023 -4.571 -1.989 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.739 -5.296 -2.894 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.184 -3.269 -2.357 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6