REMARK Name = BDB025819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.390 0.901 -0.301 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.981 0.565 -0.394 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.944 1.562 -0.588 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.574 2.915 -0.705 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.208 3.222 -0.612 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.205 4.494 -0.727 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.762 2.241 -0.413 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 4.359 0.953 -0.829 0.00 0.00 +0.026 C ATOM 9 C LIG 1 3.737 -0.449 -0.890 0.00 0.00 +0.071 C ATOM 10 N LIG 1 4.106 -1.174 0.351 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 4.612 -2.514 0.043 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.003 -1.242 1.347 0.00 0.00 +0.071 C ATOM 13 C LIG 1 3.597 -1.238 2.760 0.00 0.00 +0.026 C ATOM 14 C LIG 1 1.979 -0.084 1.225 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.325 -0.137 -0.096 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.223 -0.395 -1.243 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -2.589 3.962 -0.915 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.603 5.146 -0.162 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -3.580 6.120 -0.390 0.00 0.00 +0.070 A ATOM 20 C LIG 1 -4.526 5.880 -1.373 0.00 0.00 +0.129 A ATOM 21 N LIG 1 -4.556 4.757 -2.124 0.00 0.00 -0.261 NA ATOM 22 C LIG 1 -3.595 3.833 -1.877 0.00 0.00 +0.119 A BRANCH 19 23 ATOM 23 C LIG 1 -3.611 7.330 0.366 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.638 8.315 0.980 0.00 0.00 -0.191 NA ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 25 ATOM 25 N LIG 1 -1.277 -0.810 -0.273 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -0.433 -1.362 -0.120 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -2.496 -1.428 -0.378 0.00 0.00 +0.250 C ATOM 28 O LIG 1 -3.575 -0.905 -0.626 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -2.409 -2.911 -0.227 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -1.980 -3.593 0.990 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -1.964 -4.941 1.017 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -2.372 -5.730 -0.172 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -2.340 -6.953 -0.161 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -2.779 -4.998 -1.258 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -3.080 -5.535 -2.065 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -2.808 -3.626 -1.292 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 -1.603 -2.781 2.189 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -2.518 -1.828 2.487 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.412 -2.158 2.002 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.459 -3.543 3.305 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 2 25 TORSDOF 6