REMARK Name = BDB019664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.399 -0.216 -0.898 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.181 1.082 -0.555 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.017 1.397 -0.019 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.014 0.440 0.170 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.778 -0.894 -0.193 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.541 -1.225 -0.746 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.193 2.819 0.335 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -0.196 3.562 1.020 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -0.417 4.927 1.300 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -1.603 5.542 0.924 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -1.794 6.837 1.207 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.589 4.834 0.260 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.384 3.485 -0.035 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 1.113 2.941 1.467 0.00 0.00 +0.418 C ATOM 15 F LIG 1 1.771 3.718 2.380 0.00 0.00 -0.166 F ATOM 16 F LIG 1 2.000 2.761 0.450 0.00 0.00 -0.166 F ATOM 17 F LIG 1 0.961 1.736 2.084 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.621 0.534 -1.493 0.00 0.00 -0.304 N ATOM 19 H LIG 1 2.321 1.386 -1.021 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 1.754 -0.534 -1.452 0.00 0.00 +0.263 C ATOM 21 O LIG 1 2.044 -1.670 -1.812 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 4.032 0.377 -1.765 0.00 0.00 +0.160 C BRANCH 22 25 ATOM 23 C LIG 1 5.633 -1.028 1.374 0.00 0.00 +0.123 A ATOM 24 C LIG 1 4.929 -0.958 0.174 0.00 0.00 +0.070 A ATOM 25 C LIG 1 4.832 0.264 -0.488 0.00 0.00 +0.062 A ATOM 26 N LIG 1 5.392 1.399 0.001 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 6.067 1.302 1.165 0.00 0.00 +0.114 A ATOM 28 C LIG 1 6.217 0.126 1.881 0.00 0.00 +0.065 A BRANCH 23 30 ATOM 29 C LIG 1 6.348 -2.382 3.192 0.00 0.00 +0.277 C ATOM 30 O LIG 1 5.672 -2.269 1.946 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 31 ATOM 31 C LIG 1 -2.857 -1.932 -0.026 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 N LIG 1 -3.769 -1.841 -1.146 0.00 0.00 -0.329 N ATOM 33 H LIG 1 -3.325 -1.707 -2.048 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 -4.960 -2.512 -1.145 0.00 0.00 +0.090 C ATOM 35 C LIG 1 -5.730 -2.658 -2.429 0.00 0.00 +0.073 C ATOM 36 C LIG 1 -6.623 -3.814 -2.054 0.00 0.00 +0.031 C ATOM 37 C LIG 1 -6.782 -3.628 -0.558 0.00 0.00 +0.143 C ATOM 38 N LIG 1 -5.512 -3.037 -0.094 0.00 0.00 -0.273 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9