REMARK Name = BDB042641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.691 -1.874 -0.842 0.00 0.00 +0.216 C ATOM 2 N LIG 1 -1.595 -1.210 -1.643 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.723 0.231 -1.807 0.00 0.00 +0.094 C ATOM 4 C LIG 1 -2.500 0.816 -0.588 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -3.813 0.133 -0.385 0.00 0.00 -0.325 N ATOM 6 C LIG 1 -3.810 -1.345 -0.619 0.00 0.00 +0.127 C ATOM 7 C LIG 1 -2.570 0.331 -3.083 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -3.392 -0.971 -3.102 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.939 -1.730 -1.848 0.00 0.00 +0.094 C ATOM 10 O LIG 1 -0.919 -2.999 -0.403 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.630 0.631 0.642 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -5.418 -0.173 1.482 0.00 0.00 +0.137 A ATOM 13 N LIG 1 -6.236 0.264 2.474 0.00 0.00 -0.226 NA ATOM 14 C LIG 1 -6.299 1.594 2.648 0.00 0.00 +0.213 A ATOM 15 F LIG 1 -7.099 2.060 3.617 0.00 0.00 -0.184 F ATOM 16 C LIG 1 -5.594 2.498 1.881 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -4.762 2.008 0.872 0.00 0.00 +0.029 A ENDBRANCH 5 11 BRANCH 1 18 ATOM 18 C LIG 1 0.609 -1.142 -0.563 0.00 0.00 +0.102 C BRANCH 18 19 ATOM 19 C LIG 1 1.586 -2.016 0.227 0.00 0.00 +0.062 C BRANCH 19 27 ATOM 20 C LIG 1 4.313 2.558 -0.583 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.148 1.599 0.224 0.00 0.00 -0.042 A ATOM 22 C LIG 1 4.684 0.314 0.589 0.00 0.00 -0.005 A ATOM 23 C LIG 1 5.521 -0.531 1.346 0.00 0.00 +0.082 A ATOM 24 C LIG 1 5.033 -1.878 1.725 0.00 0.00 +0.259 A ATOM 25 N LIG 1 3.766 -2.210 1.300 0.00 0.00 -0.326 N ATOM 26 H LIG 1 3.461 -3.137 1.575 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 2.931 -1.403 0.562 0.00 0.00 +0.020 A ATOM 28 O LIG 1 5.696 -2.673 2.380 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 6.791 -0.104 1.730 0.00 0.00 +0.136 A ATOM 30 F LIG 1 7.611 -0.883 2.449 0.00 0.00 -0.205 F ATOM 31 C LIG 1 7.248 1.159 1.373 0.00 0.00 +0.039 A ATOM 32 C LIG 1 3.349 -0.177 0.204 0.00 0.00 +0.030 A ATOM 33 C LIG 1 6.433 2.006 0.625 0.00 0.00 +0.007 A ENDBRANCH 19 27 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4