REMARK Name = BDB061874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.336 -0.005 0.908 0.00 0.00 +0.006 A ATOM 2 C LIG 1 -1.406 -0.776 0.626 0.00 0.00 +0.099 A ATOM 3 N LIG 1 -2.684 -0.226 0.686 0.00 0.00 -0.306 N ATOM 4 C LIG 1 -2.941 1.094 1.031 0.00 0.00 +0.138 A ATOM 5 N LIG 1 -4.231 1.349 1.022 0.00 0.00 -0.228 NA ATOM 6 C LIG 1 -4.843 0.168 0.655 0.00 0.00 +0.090 A ATOM 7 C LIG 1 -1.818 1.915 1.325 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -3.900 -0.817 0.444 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -0.576 1.397 1.268 0.00 0.00 +0.012 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -6.288 0.035 0.524 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -6.899 -1.168 0.147 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -8.292 -1.258 0.033 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -9.105 -0.144 0.286 0.00 0.00 +0.055 A ATOM 14 C LIG 1 -8.497 1.057 0.672 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -7.106 1.144 0.785 0.00 0.00 +0.010 A BRANCH 13 16 ATOM 16 C LIG 1 -10.607 -0.250 0.184 0.00 0.00 +0.417 C ATOM 17 F LIG 1 -11.015 -1.139 -0.765 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -11.210 0.930 -0.131 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -11.177 -0.662 1.350 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 20 ATOM 20 C LIG 1 1.084 -0.506 0.892 0.00 0.00 +0.266 C BRANCH 20 21 ATOM 21 O LIG 1 1.802 0.202 -0.117 0.00 0.00 -0.487 OA BRANCH 21 26 ATOM 22 C LIG 1 7.216 -0.607 -1.303 0.00 0.00 +0.071 C ATOM 23 C LIG 1 5.804 -0.595 -0.833 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.076 0.307 -1.592 0.00 0.00 +0.128 A ATOM 25 C LIG 1 3.747 0.571 -1.337 0.00 0.00 +0.091 A ATOM 26 C LIG 1 3.121 -0.118 -0.293 0.00 0.00 +0.124 A ATOM 27 C LIG 1 3.852 -1.044 0.473 0.00 0.00 +0.046 A ATOM 28 O LIG 1 5.811 0.908 -2.580 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 5.207 -1.285 0.207 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.999 0.081 -2.664 0.00 0.00 +0.238 C BRANCH 22 31 ATOM 31 C LIG 1 8.114 0.205 -0.366 0.00 0.00 +0.132 C BRANCH 31 33 ATOM 32 O LIG 1 9.980 -0.536 -1.723 0.00 0.00 -0.251 OA ATOM 33 C LIG 1 9.557 0.138 -0.798 0.00 0.00 +0.305 C BRANCH 33 34 ATOM 34 O LIG 1 10.363 0.911 -0.036 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 9.896 1.404 0.666 0.00 0.00 +0.295 HD ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 22 31 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8