REMARK Name = BDB025708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.975 0.512 0.401 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.390 0.858 0.548 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.765 2.178 0.818 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.203 3.188 0.948 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.551 2.829 0.781 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.519 3.756 0.851 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.938 1.516 0.514 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 1.367 -3.795 0.691 0.00 0.00 +0.026 C ATOM 9 C LIG 1 2.612 -2.888 0.633 0.00 0.00 +0.071 C ATOM 10 N LIG 1 3.342 -2.882 -0.666 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 3.298 -4.143 -1.390 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.106 -1.650 -1.464 0.00 0.00 +0.071 C ATOM 13 C LIG 1 3.457 -1.753 -2.954 0.00 0.00 +0.026 C ATOM 14 C LIG 1 1.676 -1.055 -1.307 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.299 -0.836 0.116 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.224 -1.454 1.095 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -0.212 4.583 1.219 0.00 0.00 -0.037 C ATOM 18 C LIG 1 -1.448 5.117 0.532 0.00 0.00 +0.063 C ATOM 19 C LIG 1 -1.475 6.645 0.567 0.00 0.00 +0.165 C ATOM 20 O LIG 1 -1.263 7.104 1.903 0.00 0.00 -0.375 OA ATOM 21 C LIG 1 0.053 6.797 2.368 0.00 0.00 +0.187 C ATOM 22 C LIG 1 0.463 5.383 2.067 0.00 0.00 +0.005 C ENDBRANCH 4 17 BRANCH 2 23 ATOM 23 N LIG 1 -1.297 -0.212 0.407 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -0.812 -1.090 0.222 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -2.665 -0.191 0.491 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -3.394 0.764 0.724 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -3.255 -1.544 0.293 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -3.345 -2.200 -1.006 0.00 0.00 +0.073 A ATOM 29 C LIG 1 -3.887 -3.432 -1.081 0.00 0.00 +0.083 A ATOM 30 C LIG 1 -4.384 -4.118 0.139 0.00 0.00 +0.249 A ATOM 31 O LIG 1 -4.857 -5.245 0.084 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 -4.272 -3.409 1.310 0.00 0.00 -0.328 N ATOM 33 H LIG 1 -4.622 -3.872 2.142 0.00 0.00 +0.168 HD ATOM 34 C LIG 1 -3.725 -2.152 1.393 0.00 0.00 +0.099 A BRANCH 28 35 ATOM 35 C LIG 1 -2.857 -1.470 -2.219 0.00 0.00 +0.418 C ATOM 36 F LIG 1 -3.144 -2.135 -3.369 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -3.399 -0.235 -2.343 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.508 -1.320 -2.199 0.00 0.00 -0.166 F ENDBRANCH 28 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 5