REMARK Name = BDB026216 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.763 -0.788 -0.685 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.145 0.476 -0.488 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.207 0.667 -0.794 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.972 -0.387 -1.308 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.353 -1.626 -1.508 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.056 -2.665 -1.986 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.008 -1.830 -1.203 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.729 -3.359 2.623 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.552 -2.937 1.160 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.645 -3.432 0.276 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.975 -2.981 0.693 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.309 -3.047 -1.123 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.341 -3.537 -2.147 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.032 -1.529 -1.328 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.120 -0.934 -0.326 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.314 -1.405 1.068 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.400 -0.190 -1.626 0.00 0.00 -0.024 C ATOM 18 C LIG 1 4.318 0.152 -0.467 0.00 0.00 +0.145 C ATOM 19 N LIG 1 5.672 0.490 -0.923 0.00 0.00 -0.280 N ATOM 20 C LIG 1 6.190 -0.278 -2.053 0.00 0.00 +0.114 C ATOM 21 C LIG 1 5.261 -0.141 -3.265 0.00 0.00 +0.046 C ATOM 22 C LIG 1 3.816 -0.304 -2.901 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 6.530 0.863 0.056 0.00 0.00 +0.290 A ATOM 24 O LIG 1 7.866 0.924 -0.248 0.00 0.00 -0.433 OA ATOM 25 C LIG 1 8.461 1.334 0.904 0.00 0.00 +0.218 A ATOM 26 C LIG 1 7.481 1.501 1.846 0.00 0.00 +0.154 A ATOM 27 N LIG 1 6.260 1.196 1.302 0.00 0.00 -0.204 NA ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -0.991 1.496 0.002 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.945 1.165 0.132 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.686 2.811 0.245 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.387 3.376 0.089 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.869 3.590 0.706 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.456 3.464 2.035 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.523 4.223 2.356 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.100 5.174 1.373 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.081 5.851 1.649 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.466 5.231 0.157 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.848 5.894 -0.509 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.375 4.468 -0.175 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.836 2.515 3.011 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.038 1.225 2.641 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.501 2.694 3.144 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.369 2.637 4.256 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6