REMARK Name = BDB026144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.975 -0.684 0.417 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.663 0.553 0.510 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.907 1.700 0.749 0.00 0.00 +0.064 A ATOM 4 C LIG 1 0.483 1.625 0.865 0.00 0.00 +0.133 A ATOM 5 F LIG 1 1.148 2.772 1.069 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.184 0.415 0.757 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.420 -0.744 0.535 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -3.060 0.563 0.334 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.887 1.425 1.207 0.00 0.00 +0.120 C ATOM 10 C LIG 1 -4.200 2.818 0.616 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -4.644 2.793 -0.792 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -3.687 2.033 -1.614 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.483 0.598 -1.088 0.00 0.00 +0.120 C BRANCH 11 14 ATOM 14 C LIG 1 -5.016 4.141 -1.267 0.00 0.00 +0.057 C ATOM 15 C LIG 1 -4.805 4.626 -2.675 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -3.979 5.192 -1.556 0.00 0.00 +0.020 C ENDBRANCH 11 14 ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 2.648 0.351 0.875 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.381 1.088 1.784 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.727 1.043 1.912 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.408 0.225 1.096 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.792 -0.537 0.179 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.445 -0.457 0.089 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.780 0.139 1.220 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.497 -0.573 0.160 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.008 -0.510 0.431 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.529 0.829 0.474 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.565 1.802 0.909 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.500 1.240 1.865 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 31 ATOM 29 O LIG 1 -0.266 -3.557 -0.084 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -1.402 -3.124 0.038 0.00 0.00 +0.250 C ATOM 31 N LIG 1 -1.790 -1.825 0.246 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.781 -1.594 0.261 0.00 0.00 +0.155 HD BRANCH 30 33 ATOM 33 C LIG 1 -2.563 -4.050 -0.088 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.893 -4.717 -1.344 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.952 -5.550 -1.387 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.769 -5.799 -0.174 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.734 -6.551 -0.203 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.376 -5.128 0.958 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.930 -5.309 1.789 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.300 -4.279 1.011 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.059 -4.421 -2.554 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.942 -3.086 -2.773 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.812 -4.939 -2.470 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.611 -4.938 -3.686 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 30 33 ENDBRANCH 1 31 TORSDOF 7