REMARK Name = BDB026014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.869 -1.069 0.048 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.240 -2.249 -0.379 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.958 -3.369 -0.554 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.132 -2.315 -0.622 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.934 -1.186 -0.445 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.323 0.013 -0.010 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.055 0.066 0.226 0.00 0.00 +0.036 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 5.043 -0.894 0.786 0.00 0.00 +0.218 A ATOM 9 N LIG 1 4.599 -1.570 -0.285 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 3.264 -1.617 -0.496 0.00 0.00 +0.124 A ATOM 11 C LIG 1 2.316 -1.012 0.304 0.00 0.00 +0.021 A ATOM 12 C LIG 1 2.878 -0.342 1.372 0.00 0.00 +0.124 A ATOM 13 N LIG 1 4.205 -0.268 1.627 0.00 0.00 -0.222 NA BRANCH 8 20 ATOM 14 C LIG 1 7.525 2.741 1.741 0.00 0.00 +0.039 C ATOM 15 C LIG 1 6.955 1.569 0.954 0.00 0.00 +0.133 C ATOM 16 O LIG 1 7.829 1.338 -0.173 0.00 0.00 -0.371 OA ATOM 17 C LIG 1 7.358 0.236 -0.980 0.00 0.00 +0.133 C ATOM 18 C LIG 1 8.332 0.068 -2.138 0.00 0.00 +0.039 C ATOM 19 C LIG 1 7.271 -1.060 -0.141 0.00 0.00 +0.139 C ATOM 20 N LIG 1 6.414 -0.846 1.038 0.00 0.00 -0.295 N ATOM 21 C LIG 1 6.859 0.305 1.841 0.00 0.00 +0.139 C ENDBRANCH 8 20 ENDBRANCH 1 11 BRANCH 5 22 ATOM 22 N LIG 1 -3.333 -1.184 -0.658 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -4.075 -2.065 0.285 0.00 0.00 +0.124 C ATOM 24 C LIG 1 -4.852 -3.103 -0.584 0.00 0.00 +0.075 C ATOM 25 C LIG 1 -5.078 -2.248 -1.840 0.00 0.00 +0.039 C ATOM 26 C LIG 1 -3.734 -1.556 -2.030 0.00 0.00 +0.107 C BRANCH 24 27 ATOM 27 N LIG 1 -4.119 -4.371 -0.858 0.00 0.00 -0.304 NA ATOM 28 C LIG 1 -3.830 -5.104 0.384 0.00 0.00 +0.104 C ATOM 29 C LIG 1 -4.883 -5.260 -1.744 0.00 0.00 +0.104 C ENDBRANCH 24 27 ENDBRANCH 5 22 BRANCH 6 30 ATOM 30 N LIG 1 -2.198 1.106 0.161 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.160 0.850 -0.062 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.899 2.381 0.564 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.797 2.843 0.828 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.103 3.258 0.620 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.172 3.104 1.594 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.209 3.962 1.561 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.284 5.052 0.552 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.263 5.791 0.550 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.207 5.139 -0.325 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -4.186 6.197 -1.325 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.141 4.255 -0.277 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -4.070 2.024 2.625 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -5.027 2.136 3.584 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.879 2.023 3.268 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.235 0.796 2.071 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7