REMARK Name = BDB035709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.002 -0.275 -1.027 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.120 -0.562 -1.816 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.244 -0.683 -3.021 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.259 -0.720 -0.904 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.578 -1.005 -1.210 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.504 -1.106 -0.159 0.00 0.00 -0.029 A ATOM 7 C LIG 1 4.047 -0.919 1.170 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.699 -0.627 1.467 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.815 -0.533 0.398 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.349 -0.242 0.389 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.706 0.459 -0.968 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.362 0.224 -0.578 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.322 -0.038 -1.488 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.645 -0.054 -2.845 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.952 0.179 -3.274 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.964 0.430 -2.349 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.204 2.192 0.981 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.667 2.040 0.974 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.840 0.726 0.134 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.222 1.319 -0.295 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.011 -0.569 1.043 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.354 -1.832 0.644 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.641 -2.298 -0.684 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.355 -2.594 1.772 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.031 -1.850 2.804 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.810 -0.575 2.345 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.660 4.358 1.964 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.719 3.529 0.812 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.226 -0.431 2.883 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.625 0.777 3.062 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.305 -1.363 3.249 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.221 -0.499 3.807 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.964 -1.419 -0.483 0.00 0.00 +0.087 C BRANCH 33 34 ATOM 34 C LIG 1 6.944 -0.188 -0.447 0.00 0.00 -0.018 C ATOM 35 C LIG 1 8.336 -0.629 -0.960 0.00 0.00 +0.012 C ATOM 36 C LIG 1 7.131 0.412 0.960 0.00 0.00 +0.012 C ATOM 37 C LIG 1 6.441 0.929 -1.386 0.00 0.00 +0.012 C ENDBRANCH 33 34 BRANCH 33 38 ATOM 38 N LIG 1 6.439 -2.550 0.322 0.00 0.00 -0.323 NA ATOM 39 H LIG 1 6.477 -2.300 1.306 0.00 0.00 +0.119 HD ATOM 40 H LIG 1 5.777 -3.321 0.239 0.00 0.00 +0.119 HD ENDBRANCH 33 38 ENDBRANCH 6 33 TORSDOF 8