REMARK Name = BDB008669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.569 -2.182 -1.440 0.00 0.00 +0.051 A ATOM 2 C LIG 1 2.357 -1.174 -0.829 0.00 0.00 +0.033 A ATOM 3 C LIG 1 3.725 -0.729 -0.954 0.00 0.00 +0.082 A ATOM 4 C LIG 1 3.886 0.323 -0.065 0.00 0.00 +0.099 A ATOM 5 N LIG 1 2.709 0.527 0.595 0.00 0.00 -0.346 N ATOM 6 C LIG 1 1.757 -0.361 0.144 0.00 0.00 +0.053 A ATOM 7 C LIG 1 0.418 -0.514 0.512 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -0.298 -1.514 -0.133 0.00 0.00 +0.064 A ATOM 9 N LIG 1 0.260 -2.318 -1.066 0.00 0.00 -0.254 NA ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 4.785 -1.277 -1.846 0.00 0.00 +0.419 C ATOM 11 F LIG 1 4.408 -1.288 -3.149 0.00 0.00 -0.166 F ATOM 12 F LIG 1 5.115 -2.552 -1.515 0.00 0.00 -0.166 F ATOM 13 F LIG 1 5.935 -0.554 -1.784 0.00 0.00 -0.166 F ENDBRANCH 3 10 BRANCH 1 15 ATOM 14 C LIG 1 1.646 -2.602 -3.902 0.00 0.00 +0.010 C ATOM 15 C LIG 1 2.013 -3.129 -2.523 0.00 0.00 +0.053 C ENDBRANCH 1 15 BRANCH 8 16 ATOM 16 C LIG 1 -1.773 -1.715 0.222 0.00 0.00 +0.122 C ATOM 17 C LIG 1 -2.394 -3.005 -0.330 0.00 0.00 +0.035 C BRANCH 16 18 ATOM 18 N LIG 1 -2.628 -0.537 -0.069 0.00 0.00 -0.288 N ATOM 19 C LIG 1 -3.607 -0.216 0.879 0.00 0.00 +0.246 C ATOM 20 O LIG 1 -3.800 -0.924 1.876 0.00 0.00 -0.273 OA BRANCH 19 21 ATOM 21 C LIG 1 -4.391 1.112 0.757 0.00 0.00 +0.217 C ATOM 22 O LIG 1 -4.920 1.440 -0.522 0.00 0.00 -0.365 OA ATOM 23 C LIG 1 -5.744 2.614 -0.489 0.00 0.00 +0.176 C ATOM 24 C LIG 1 -5.358 3.622 0.611 0.00 0.00 +0.109 C ATOM 25 N LIG 1 -3.913 3.622 0.875 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 -3.445 3.825 -0.011 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -3.500 2.262 1.291 0.00 0.00 +0.122 C ENDBRANCH 19 21 BRANCH 18 28 ATOM 28 C LIG 1 -2.442 0.206 -1.300 0.00 0.00 +0.077 C ATOM 29 C LIG 1 -1.937 -0.364 -2.604 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -3.379 -0.007 -2.467 0.00 0.00 +0.024 C ENDBRANCH 18 28 ENDBRANCH 16 18 ENDBRANCH 8 16 BRANCH 5 31 ATOM 31 C LIG 1 2.509 1.553 1.607 0.00 0.00 +0.124 C BRANCH 31 32 ATOM 32 C LIG 1 2.548 1.017 3.039 0.00 0.00 +0.049 C BRANCH 32 33 ATOM 33 C LIG 1 3.906 0.448 3.438 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 O LIG 1 4.901 1.454 3.268 0.00 0.00 -0.383 OA ATOM 35 C LIG 1 6.196 0.973 3.608 0.00 0.00 +0.193 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 10