REMARK Name = BDB026266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.502 -1.237 -0.312 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.668 -0.098 -0.399 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.717 -0.244 -0.527 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.316 -1.520 -0.589 0.00 0.00 +0.038 A ATOM 5 C LIG 1 0.465 -2.631 -0.504 0.00 0.00 +0.134 A ATOM 6 F LIG 1 0.967 -3.876 -0.538 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.917 -2.502 -0.368 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.487 -3.846 -0.903 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.907 -2.374 -1.018 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.707 -2.025 0.183 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.939 -1.326 -0.195 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.946 -1.243 1.195 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.457 -1.596 2.595 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.414 -1.474 1.141 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.894 -1.045 -0.171 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.698 -1.452 -1.343 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.780 -1.657 -0.724 0.00 0.00 +0.081 A ATOM 18 N LIG 1 3.512 -0.715 -0.092 0.00 0.00 -0.195 NA ATOM 19 C LIG 1 4.845 -0.799 -0.193 0.00 0.00 +0.319 A ATOM 20 N LIG 1 5.514 -1.741 -0.874 0.00 0.00 -0.203 NA ATOM 21 C LIG 1 4.757 -2.659 -1.495 0.00 0.00 +0.118 A ATOM 22 C LIG 1 3.382 -2.663 -1.457 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 O LIG 1 5.530 0.193 0.471 0.00 0.00 -0.459 OA BRANCH 23 24 ATOM 24 C LIG 1 6.955 0.104 0.404 0.00 0.00 +0.181 C ATOM 25 C LIG 1 7.482 0.759 -0.875 0.00 0.00 +0.073 C ATOM 26 C LIG 1 8.999 0.843 -0.835 0.00 0.00 +0.163 C ATOM 27 O LIG 1 9.437 1.557 0.320 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 9.030 0.929 1.536 0.00 0.00 +0.163 C ATOM 29 C LIG 1 7.515 0.848 1.619 0.00 0.00 +0.073 C ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.337 1.143 -0.342 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.341 1.020 -0.218 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.810 2.401 -0.477 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.353 2.701 -0.714 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.844 3.475 -0.391 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.658 3.748 0.790 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.547 4.762 0.755 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.704 5.593 -0.464 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.524 6.501 -0.509 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.880 5.273 -1.512 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.967 5.855 -2.338 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.965 4.249 -1.482 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.462 2.921 2.021 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.162 2.801 2.376 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.958 1.668 1.852 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.111 3.439 3.098 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7