REMARK Name = BDB035329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.755 -1.599 0.235 0.00 0.00 -0.012 A ATOM 2 C LIG 1 1.587 -1.043 0.770 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.468 -0.838 -0.033 0.00 0.00 +0.141 A ATOM 4 N LIG 1 0.509 -1.198 -1.333 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 1.617 -1.742 -1.891 0.00 0.00 +0.047 A ATOM 6 C LIG 1 2.750 -1.955 -1.115 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.749 -0.263 0.498 0.00 0.00 -0.266 N ATOM 8 C LIG 1 -1.710 0.257 -0.433 0.00 0.00 +0.281 A ATOM 9 O LIG 1 -1.605 0.322 -1.654 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 -2.900 0.787 0.204 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.137 0.833 1.556 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.398 1.427 1.765 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -4.919 1.729 0.515 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.139 0.308 2.420 0.00 0.00 +0.081 A ATOM 15 N LIG 1 -3.980 1.344 -0.421 0.00 0.00 -0.352 N ATOM 16 H LIG 1 -4.089 1.463 -1.422 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 -1.011 -0.209 1.886 0.00 0.00 +0.109 A BRANCH 13 18 ATOM 18 C LIG 1 -6.219 2.375 0.112 0.00 0.00 +0.127 C ATOM 19 N LIG 1 -6.258 2.536 -1.357 0.00 0.00 -0.304 NA ATOM 20 H LIG 1 -6.481 3.505 -1.582 0.00 0.00 +0.123 HD ATOM 21 C LIG 1 -7.267 1.659 -1.972 0.00 0.00 +0.109 C ATOM 22 C LIG 1 -7.343 0.287 -1.292 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -7.742 0.362 0.079 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -7.451 1.627 0.692 0.00 0.00 +0.184 C ENDBRANCH 13 18 BRANCH 14 25 ATOM 25 C LIG 1 -2.421 0.351 3.890 0.00 0.00 +0.419 C ATOM 26 F LIG 1 -3.539 -0.345 4.227 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -2.590 1.617 4.352 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.407 -0.188 4.622 0.00 0.00 -0.166 F ENDBRANCH 14 25 ENDBRANCH 3 7 BRANCH 1 30 ATOM 29 C LIG 1 4.671 -0.740 1.660 0.00 0.00 +0.047 A ATOM 30 C LIG 1 3.958 -1.802 1.061 0.00 0.00 -0.005 A ATOM 31 C LIG 1 4.449 -3.107 1.261 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.596 -3.337 2.027 0.00 0.00 +0.039 A ATOM 33 C LIG 1 6.267 -2.265 2.603 0.00 0.00 +0.124 A ATOM 34 F LIG 1 7.365 -2.491 3.335 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.817 -0.966 2.431 0.00 0.00 +0.052 A BRANCH 29 37 ATOM 36 O LIG 1 3.372 1.105 2.253 0.00 0.00 -0.270 OA ATOM 37 C LIG 1 4.234 0.660 1.504 0.00 0.00 +0.247 C ATOM 38 N LIG 1 4.869 1.386 0.532 0.00 0.00 -0.292 N ATOM 39 C LIG 1 4.397 2.622 -0.076 0.00 0.00 +0.146 C ATOM 40 C LIG 1 5.513 2.430 -1.117 0.00 0.00 +0.200 C ATOM 41 F LIG 1 5.172 2.629 -2.412 0.00 0.00 -0.242 F ATOM 42 C LIG 1 5.592 0.963 -0.656 0.00 0.00 +0.146 C ENDBRANCH 29 37 ENDBRANCH 1 30 BRANCH 5 43 ATOM 43 C LIG 1 1.533 -2.082 -3.365 0.00 0.00 +0.038 C ATOM 44 C LIG 1 2.227 -3.288 -3.951 0.00 0.00 +0.010 C ATOM 45 C LIG 1 2.712 -1.908 -4.293 0.00 0.00 +0.010 C ENDBRANCH 5 43 TORSDOF 6