REMARK Name = BDB027437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.886 1.151 -0.285 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.622 0.659 0.805 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.524 1.517 1.462 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.687 2.832 1.027 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.979 3.319 -0.017 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.113 2.483 -0.639 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.617 3.787 1.666 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.310 5.161 1.707 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.176 6.072 2.308 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -3.847 7.371 2.337 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.366 5.640 2.874 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.198 6.516 3.453 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.706 4.295 2.843 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.838 3.375 2.241 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.476 -0.219 -1.381 0.00 0.00 +0.076 C ATOM 16 C LIG 1 1.423 0.530 -0.485 0.00 0.00 +0.133 C ATOM 17 N LIG 1 0.026 0.314 -0.952 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -0.105 0.317 -2.418 0.00 0.00 +0.105 C ATOM 19 C LIG 1 0.596 -0.918 -2.988 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.799 -1.376 -2.152 0.00 0.00 +0.031 C BRANCH 15 24 ATOM 21 C LIG 1 7.197 0.051 0.003 0.00 0.00 +0.067 C ATOM 22 C LIG 1 5.848 -0.580 0.146 0.00 0.00 +0.057 A ATOM 23 N LIG 1 4.845 -0.125 -0.646 0.00 0.00 -0.252 NA ATOM 24 C LIG 1 3.627 -0.726 -0.502 0.00 0.00 +0.081 A ATOM 25 C LIG 1 3.445 -1.741 0.435 0.00 0.00 +0.136 A ATOM 26 N LIG 1 4.437 -2.198 1.234 0.00 0.00 -0.260 NA ATOM 27 C LIG 1 5.637 -1.599 1.065 0.00 0.00 +0.133 A ENDBRANCH 15 24 BRANCH 15 28 ATOM 28 N LIG 1 3.005 0.726 -2.419 0.00 0.00 -0.319 NA ATOM 29 H LIG 1 3.681 0.201 -2.978 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 3.607 1.387 -1.917 0.00 0.00 +0.119 HD ENDBRANCH 15 28 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.459 -0.759 1.303 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -1.793 -1.774 0.319 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -1.120 -2.954 0.142 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -1.806 -3.605 -0.870 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -1.306 -4.856 -1.267 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -0.225 -5.354 -0.624 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 0.337 -4.612 0.354 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -2.897 -2.865 -1.282 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -0.034 -3.394 0.802 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -2.859 -1.776 -0.543 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -1.882 -5.621 -2.274 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -1.659 -6.603 -2.179 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -2.845 -5.370 -2.464 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 7