REMARK Name = BDB025902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.866 -1.187 -0.372 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.420 0.047 0.157 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.933 0.396 0.105 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.885 -0.468 -0.469 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.419 -1.691 -0.977 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.274 -2.554 -1.547 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.072 -2.052 -0.934 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.475 -2.988 -2.572 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.393 -1.763 -1.649 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.960 -1.994 -0.309 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.388 -2.248 -0.274 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.123 -2.808 0.600 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.573 -4.264 0.783 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.601 -2.787 0.251 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.247 -1.478 -0.318 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.928 -1.208 -1.611 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.306 -0.096 -0.533 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.344 -0.971 -0.280 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.657 -0.651 -0.332 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.982 0.608 -0.660 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.051 1.538 -0.929 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.752 1.170 -0.858 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.313 0.954 -0.756 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.315 0.125 -0.084 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.197 0.997 0.825 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.874 2.061 0.137 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.153 2.550 -1.006 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.630 2.376 -0.900 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.424 0.853 0.736 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.341 0.406 0.687 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.276 2.044 1.400 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.247 2.662 1.632 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.544 2.588 1.927 0.00 0.00 +0.051 A ATOM 34 C LIG 1 -3.524 3.127 1.082 0.00 0.00 +0.102 A ATOM 35 C LIG 1 -4.710 3.564 1.669 0.00 0.00 +0.136 A ATOM 36 F LIG 1 -5.702 4.045 0.908 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.912 3.509 3.048 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -3.914 3.004 3.878 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -2.726 2.543 3.317 0.00 0.00 +0.014 A BRANCH 34 40 ATOM 40 C LIG 1 -3.349 3.214 -0.400 0.00 0.00 +0.421 C ATOM 41 F LIG 1 -3.672 2.045 -1.020 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.116 4.169 -0.997 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.075 3.499 -0.785 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6