REMARK Name = BDB058105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.445 0.770 0.873 0.00 0.00 +0.048 C ATOM 2 C LIG 1 4.009 1.018 0.502 0.00 0.00 +0.004 C ATOM 3 C LIG 1 3.051 0.088 0.253 0.00 0.00 -0.000 C ATOM 4 C LIG 1 3.367 -1.366 0.323 0.00 0.00 +0.025 A ATOM 5 C LIG 1 2.668 -2.253 1.171 0.00 0.00 +0.131 A ATOM 6 C LIG 1 2.979 -3.619 1.147 0.00 0.00 +0.084 A ATOM 7 C LIG 1 3.962 -4.101 0.293 0.00 0.00 +0.127 A ATOM 8 C LIG 1 4.642 -3.250 -0.562 0.00 0.00 +0.039 A ATOM 9 F LIG 1 4.247 -5.410 0.285 0.00 0.00 -0.205 F ATOM 10 O LIG 1 1.641 -1.964 2.035 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 1.341 -0.604 2.360 0.00 0.00 +0.265 C ATOM 12 C LIG 1 0.774 0.153 1.185 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -0.583 0.494 1.112 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -1.093 1.166 -0.010 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -0.227 1.477 -1.069 0.00 0.00 +0.004 A ATOM 16 C LIG 1 1.124 1.134 -1.007 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.338 -1.888 -0.556 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.630 0.493 0.126 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 3.636 2.444 0.604 0.00 0.00 +0.179 A ATOM 20 N LIG 1 3.674 3.189 -0.498 0.00 0.00 -0.272 N ATOM 21 H LIG 1 3.904 2.925 -1.438 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 3.271 4.416 -0.138 0.00 0.00 +0.440 A ATOM 23 O LIG 1 3.146 5.372 -0.886 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 3.020 4.416 1.212 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 3.277 3.082 1.662 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 -2.559 1.533 -0.089 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -3.441 0.359 -0.348 0.00 0.00 +0.051 A ATOM 28 N LIG 1 -4.226 -0.265 0.604 0.00 0.00 -0.303 N ATOM 29 C LIG 1 -4.893 -1.307 -0.047 0.00 0.00 +0.141 A ATOM 30 C LIG 1 -5.771 -2.114 0.730 0.00 0.00 +0.085 A ATOM 31 C LIG 1 -5.928 -1.850 2.037 0.00 0.00 +0.128 A ATOM 32 C LIG 1 -5.228 -0.763 2.692 0.00 0.00 +0.056 A ATOM 33 F LIG 1 -6.756 -2.603 2.788 0.00 0.00 -0.205 F ATOM 34 N LIG 1 -4.579 -1.363 -1.321 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 -4.395 0.004 1.967 0.00 0.00 +0.096 A ATOM 36 C LIG 1 -3.689 -0.344 -1.511 0.00 0.00 +0.067 A BRANCH 36 37 ATOM 37 C LIG 1 -3.039 -0.053 -2.886 0.00 0.00 +0.040 C ATOM 38 C LIG 1 -3.436 1.188 -3.643 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -3.889 -0.158 -4.126 0.00 0.00 +0.010 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4