REMARK Name = BDB064962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.648 0.528 0.563 0.00 0.00 -0.307 N ATOM 2 C LIG 1 1.397 0.082 0.122 0.00 0.00 +0.260 A ATOM 3 O LIG 1 0.615 -0.550 0.833 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 1.032 0.419 -1.306 0.00 0.00 +0.047 A ATOM 5 C LIG 1 1.890 1.154 -2.038 0.00 0.00 +0.027 A ATOM 6 C LIG 1 3.158 1.613 -1.505 0.00 0.00 +0.072 A ATOM 7 C LIG 1 3.484 1.289 -0.245 0.00 0.00 +0.102 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -0.251 -0.020 -1.892 0.00 0.00 -0.012 A ATOM 9 C LIG 1 -1.456 0.239 -1.220 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -2.709 -0.205 -1.694 0.00 0.00 -0.033 A ATOM 11 C LIG 1 -2.695 -0.904 -2.918 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -1.512 -1.157 -3.615 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -0.293 -0.723 -3.100 0.00 0.00 +0.009 A BRANCH 10 14 ATOM 14 C LIG 1 -4.077 0.018 -0.878 0.00 0.00 +0.056 C ATOM 15 C LIG 1 -4.163 1.202 0.144 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -5.530 1.613 -0.439 0.00 0.00 -0.012 C ATOM 17 C LIG 1 -6.756 1.253 0.384 0.00 0.00 +0.007 C ATOM 18 C LIG 1 -5.227 0.735 -1.669 0.00 0.00 +0.022 C BRANCH 14 19 ATOM 19 C LIG 1 -4.528 -1.367 -0.238 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -3.846 -2.132 0.670 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -2.560 -1.883 1.264 0.00 0.00 +0.151 C ATOM 22 C LIG 1 -4.623 -3.226 0.897 0.00 0.00 +0.224 A ATOM 23 N LIG 1 -5.716 -3.148 0.176 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 -5.652 -1.982 -0.548 0.00 0.00 -0.134 NA ENDBRANCH 14 19 ENDBRANCH 10 14 ENDBRANCH 4 8 BRANCH 6 25 ATOM 25 C LIG 1 4.045 2.430 -2.402 0.00 0.00 +0.419 C ATOM 26 F LIG 1 5.205 2.798 -1.798 0.00 0.00 -0.166 F ATOM 27 F LIG 1 4.385 1.751 -3.527 0.00 0.00 -0.166 F ATOM 28 F LIG 1 3.433 3.574 -2.801 0.00 0.00 -0.166 F ENDBRANCH 6 25 BRANCH 1 30 ATOM 29 C LIG 1 3.006 1.463 2.838 0.00 0.00 +0.036 C ATOM 30 C LIG 1 3.045 0.215 1.952 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 C LIG 1 4.361 -0.513 1.960 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.617 -0.083 2.348 0.00 0.00 +0.113 A ATOM 33 N LIG 1 6.463 -1.137 2.159 0.00 0.00 -0.274 N ATOM 34 C LIG 1 7.881 -1.174 2.423 0.00 0.00 +0.172 C ATOM 35 N LIG 1 5.852 -2.229 1.673 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 4.578 -1.853 1.555 0.00 0.00 +0.140 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 6