REMARK Name = BDB054873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.864 -0.611 1.992 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.038 -1.638 1.680 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.350 -1.639 2.187 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.740 -0.604 3.046 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.847 0.416 3.367 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.448 0.414 2.841 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.176 0.229 1.506 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -2.150 -0.693 1.420 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.315 -1.493 0.822 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.120 1.313 2.076 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -5.535 2.067 0.203 0.00 0.00 +0.144 A ATOM 12 C LIG 1 -5.377 0.647 0.293 0.00 0.00 +0.117 A ATOM 13 N LIG 1 -6.378 -0.117 -0.232 0.00 0.00 -0.234 N ATOM 14 C LIG 1 -6.063 -1.440 -0.100 0.00 0.00 +0.114 A ATOM 15 C LIG 1 -4.852 -1.528 0.546 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -7.500 0.360 -0.789 0.00 0.00 -0.155 NA ATOM 17 C LIG 1 -7.565 1.655 -0.804 0.00 0.00 +0.245 A ATOM 18 C LIG 1 -4.397 -0.195 0.812 0.00 0.00 +0.067 A ATOM 19 N LIG 1 -6.626 2.534 -0.328 0.00 0.00 -0.217 NA BRANCH 11 20 ATOM 20 N LIG 1 -4.615 2.975 0.634 0.00 0.00 -0.341 N ATOM 21 H LIG 1 -3.982 2.648 1.369 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -5.006 3.891 0.815 0.00 0.00 +0.144 HD ENDBRANCH 11 20 ENDBRANCH 7 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 2.321 -2.744 1.851 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 N LIG 1 2.255 -3.174 0.468 0.00 0.00 -0.295 N ATOM 25 H LIG 1 2.163 -4.170 0.311 0.00 0.00 +0.151 HD ATOM 26 C LIG 1 2.831 -2.574 -0.617 0.00 0.00 +0.304 C ATOM 27 N LIG 1 3.110 -1.243 -0.475 0.00 0.00 -0.269 N ATOM 28 H LIG 1 2.627 -0.775 0.277 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 3.040 -3.267 -1.607 0.00 0.00 -0.252 OA BRANCH 27 30 ATOM 30 C LIG 1 3.799 -0.406 -1.374 0.00 0.00 +0.035 A ATOM 31 C LIG 1 3.805 0.966 -1.095 0.00 0.00 +0.024 A ATOM 32 C LIG 1 4.483 1.861 -1.928 0.00 0.00 +0.014 A ATOM 33 C LIG 1 5.170 1.400 -3.060 0.00 0.00 +0.055 A ATOM 34 C LIG 1 5.165 0.026 -3.334 0.00 0.00 +0.014 A ATOM 35 C LIG 1 4.486 -0.869 -2.497 0.00 0.00 +0.024 A BRANCH 33 36 ATOM 36 C LIG 1 5.904 2.376 -3.948 0.00 0.00 +0.417 C ATOM 37 F LIG 1 5.092 3.359 -4.426 0.00 0.00 -0.166 F ATOM 38 F LIG 1 6.474 1.800 -5.043 0.00 0.00 -0.166 F ATOM 39 F LIG 1 6.915 3.013 -3.292 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7