REMARK Name = BDB065078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.457 -0.468 1.466 0.00 0.00 +0.169 A ATOM 2 N LIG 1 2.692 0.522 0.971 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 2.299 1.482 1.829 0.00 0.00 +0.148 A ATOM 4 C LIG 1 2.676 1.484 3.164 0.00 0.00 +0.036 A ATOM 5 C LIG 1 2.241 2.535 4.070 0.00 0.00 +0.018 A ATOM 6 C LIG 1 1.476 3.522 3.595 0.00 0.00 +0.071 A ATOM 7 C LIG 1 1.058 3.571 2.170 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.365 4.517 1.801 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 3.481 0.437 3.561 0.00 0.00 +0.124 A ATOM 10 N LIG 1 1.485 2.543 1.349 0.00 0.00 -0.288 N ATOM 11 N LIG 1 3.894 -0.544 2.735 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 3.007 -2.491 0.099 0.00 0.00 +0.229 A ATOM 13 C LIG 1 3.876 -1.506 0.545 0.00 0.00 +0.102 A ATOM 14 C LIG 1 5.173 -1.574 0.036 0.00 0.00 +0.062 A ATOM 15 N LIG 1 5.542 -2.553 -0.834 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 4.609 -3.444 -1.192 0.00 0.00 +0.225 A ATOM 17 N LIG 1 3.344 -3.464 -0.771 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 6.245 -0.571 0.426 0.00 0.00 +0.039 C ATOM 19 C LIG 1 6.150 0.867 -0.034 0.00 0.00 +0.010 C ATOM 20 C LIG 1 7.194 -0.032 -0.622 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 0.887 -3.521 0.101 0.00 0.00 +0.279 C ATOM 22 O LIG 1 1.713 -2.471 0.596 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 1.064 2.526 -0.046 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 -0.201 1.724 -0.267 0.00 0.00 -0.025 A ATOM 25 C LIG 1 -1.454 2.268 0.044 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -2.614 1.518 -0.146 0.00 0.00 +0.134 A ATOM 27 F LIG 1 -3.789 2.078 0.179 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -2.567 0.221 -0.663 0.00 0.00 +0.053 A ATOM 29 C LIG 1 -1.312 -0.331 -0.952 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -0.143 0.413 -0.761 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -3.769 -0.591 -0.854 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -4.910 -0.227 -1.548 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -5.816 -1.254 -1.429 0.00 0.00 +0.120 A ATOM 34 C LIG 1 -5.177 -2.253 -0.720 0.00 0.00 +0.162 A ATOM 35 N LIG 1 -3.898 -1.829 -0.400 0.00 0.00 -0.223 NA BRANCH 34 36 ATOM 36 C LIG 1 -5.709 -3.603 -0.333 0.00 0.00 +0.436 C ATOM 37 F LIG 1 -4.906 -4.275 0.532 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -6.930 -3.507 0.262 0.00 0.00 -0.164 F ATOM 39 F LIG 1 -5.875 -4.406 -1.419 0.00 0.00 -0.164 F ENDBRANCH 34 36 BRANCH 32 40 ATOM 40 C LIG 1 -5.133 0.985 -2.334 0.00 0.00 +0.083 C ATOM 41 C LIG 1 -6.294 1.814 -1.780 0.00 0.00 +0.030 C ATOM 42 C LIG 1 -5.345 0.660 -3.815 0.00 0.00 +0.030 C ENDBRANCH 32 40 ENDBRANCH 28 31 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 8