REMARK Name = BDB026211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.486 -1.500 -0.375 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.866 -0.284 -0.010 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.485 -0.058 -0.301 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.258 -1.025 -0.966 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.623 -2.228 -1.315 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.301 -3.215 -1.923 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.723 -2.467 -1.030 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.766 -0.665 -0.402 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.212 -2.043 -0.799 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.394 -3.109 0.222 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.778 -3.287 0.644 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.500 -2.909 1.380 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.016 -2.780 0.967 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.853 -1.691 -0.029 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.713 -1.920 -1.219 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.681 -0.770 -1.250 0.00 0.00 -0.022 C ATOM 17 C LIG 1 3.483 0.263 -0.510 0.00 0.00 +0.147 C ATOM 18 N LIG 1 4.799 0.117 -1.098 0.00 0.00 -0.259 N ATOM 19 C LIG 1 5.859 0.869 -0.677 0.00 0.00 +0.404 C ATOM 20 O LIG 1 5.802 1.697 0.223 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 4.843 -0.854 -2.166 0.00 0.00 +0.139 C ATOM 22 C LIG 1 3.447 -1.371 -2.176 0.00 0.00 -0.002 C BRANCH 19 23 ATOM 23 O LIG 1 6.995 0.587 -1.375 0.00 0.00 -0.447 OA BRANCH 23 24 ATOM 24 C LIG 1 8.153 1.350 -0.982 0.00 0.00 +0.189 C ATOM 25 C LIG 1 8.830 0.954 0.350 0.00 0.00 +0.120 C ATOM 26 C LIG 1 10.187 1.188 -0.341 0.00 0.00 +0.256 C ATOM 27 F LIG 1 11.165 0.309 -0.033 0.00 0.00 -0.205 F ATOM 28 F LIG 1 10.710 2.426 -0.187 0.00 0.00 -0.205 F ATOM 29 C LIG 1 9.467 0.944 -1.683 0.00 0.00 +0.120 C ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 16 BRANCH 2 30 ATOM 30 N LIG 1 -1.700 0.652 0.634 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.664 0.327 0.687 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.364 1.869 1.170 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.246 2.361 1.261 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.539 2.574 1.758 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.643 3.116 0.973 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.663 3.727 1.610 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.666 3.853 3.090 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.598 4.391 3.674 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.572 3.335 3.735 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.561 3.437 4.744 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.529 2.714 3.093 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.599 3.019 -0.521 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.776 1.734 -0.925 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.404 3.426 -1.020 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7