REMARK Name = BDB026269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.369 0.424 -0.113 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.436 -0.643 -0.015 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.064 -0.408 -0.150 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.409 0.888 -0.396 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.517 1.932 -0.498 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.099 3.189 -0.716 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.885 1.710 -0.360 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.715 2.667 1.964 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.302 1.263 1.759 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.374 1.380 0.740 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.699 1.213 1.334 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.141 0.529 -0.445 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -7.076 0.897 -1.603 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.674 0.687 -0.926 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.738 0.144 0.076 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.182 0.219 1.485 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.859 1.134 -0.539 0.00 0.00 -0.040 C ATOM 18 C LIG 1 2.713 0.855 0.679 0.00 0.00 +0.054 C ATOM 19 C LIG 1 3.602 2.034 1.094 0.00 0.00 +0.116 C ATOM 20 N LIG 1 4.729 2.238 0.191 0.00 0.00 -0.267 N ATOM 21 C LIG 1 5.903 1.538 0.430 0.00 0.00 +0.403 C ATOM 22 O LIG 1 6.092 0.846 1.423 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.435 2.846 -1.103 0.00 0.00 +0.115 C ATOM 24 C LIG 1 3.761 1.866 -2.069 0.00 0.00 +0.046 C ATOM 25 C LIG 1 2.327 1.552 -1.732 0.00 0.00 -0.021 C BRANCH 21 26 ATOM 26 O LIG 1 6.825 1.717 -0.556 0.00 0.00 -0.444 OA BRANCH 26 27 ATOM 27 C LIG 1 8.108 1.064 -0.383 0.00 0.00 +0.112 C ATOM 28 C LIG 1 8.919 1.438 0.898 0.00 0.00 +0.048 C ATOM 29 C LIG 1 10.177 1.562 0.024 0.00 0.00 +0.008 C ATOM 30 C LIG 1 9.251 1.763 -1.187 0.00 0.00 +0.048 C ATOM 31 C LIG 1 7.997 -0.424 -0.711 0.00 0.00 +0.056 C ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.002 -1.920 0.184 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.019 -1.878 0.188 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -1.364 -3.123 0.335 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.159 -3.324 0.397 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.316 -4.262 0.510 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -3.314 -4.667 -0.477 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -4.117 -5.715 -0.205 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -3.994 -6.453 1.075 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -4.733 -7.391 1.337 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -3.007 -6.016 1.921 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -2.904 -6.534 2.786 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -2.182 -4.954 1.652 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.394 -3.940 -1.784 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -2.185 -3.781 -2.371 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.181 -4.582 -2.687 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.935 -2.707 -1.623 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7