REMARK Name = BDB025775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.826 -0.646 0.157 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.165 -1.868 0.344 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.866 -2.977 0.626 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.224 -1.986 0.268 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.018 -0.872 0.002 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.369 0.372 -0.204 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.026 0.476 -0.124 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.421 -0.913 -0.052 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.076 -1.962 -0.853 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.489 -3.233 -0.050 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.343 -4.103 -0.989 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.196 -2.927 1.230 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.473 -4.152 1.991 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.388 -1.960 2.034 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.087 -1.550 3.341 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.089 -0.658 1.241 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.046 -0.306 0.402 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.515 -1.373 -0.214 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.166 -1.462 -0.277 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.289 -0.533 0.245 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.939 0.518 0.859 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.282 0.651 0.950 0.00 0.00 -0.222 NA BRANCH 17 29 ATOM 23 C LIG 1 9.504 -1.501 -1.343 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.675 -0.627 -0.413 0.00 0.00 +0.133 C ATOM 25 O LIG 1 8.843 0.737 -0.841 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 7.877 1.653 -0.288 0.00 0.00 +0.133 C ATOM 27 C LIG 1 7.021 2.190 -1.433 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.022 1.075 0.863 0.00 0.00 +0.139 C ATOM 29 N LIG 1 6.421 -0.208 0.492 0.00 0.00 -0.295 N ATOM 30 C LIG 1 7.193 -1.053 -0.423 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.216 1.457 -0.523 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.192 1.171 -0.584 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.870 2.757 -0.790 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.752 3.253 -0.786 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.047 3.594 -1.153 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.009 4.100 -0.181 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.034 4.864 -0.608 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.189 5.186 -2.049 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.125 5.867 -2.448 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.226 4.673 -2.881 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -4.321 4.908 -3.864 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.174 3.902 -2.454 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.809 3.774 1.265 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.997 2.451 1.503 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.688 4.430 2.068 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.570 4.091 1.708 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6