REMARK Name = BDB006417 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.234 -4.353 -2.485 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.533 -3.649 -1.206 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.579 -3.184 -0.248 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.284 -2.580 0.795 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.627 -2.018 1.905 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.771 -2.068 1.949 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.497 -2.656 0.911 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.630 -2.675 0.483 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.830 -3.227 -0.181 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.793 -3.326 -0.726 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.130 -3.580 -1.338 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.984 -2.717 0.934 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.626 -1.686 1.583 0.00 0.00 -0.297 N ATOM 14 H LIG 1 -3.099 -0.854 1.812 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.578 -3.630 0.371 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.092 -1.549 1.542 0.00 0.00 +0.208 C BRANCH 16 17 ATOM 17 C LIG 1 -5.446 -0.537 0.456 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -5.517 0.845 0.701 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.818 1.756 -0.327 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -6.035 1.263 -1.621 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.948 -0.102 -1.884 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.651 -0.995 -0.856 0.00 0.00 +0.006 A BRANCH 19 23 ATOM 23 C LIG 1 -5.896 3.242 -0.019 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -7.293 3.803 -0.300 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.828 4.030 -0.781 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.703 -1.256 2.933 0.00 0.00 +0.412 C ATOM 27 F LIG 1 -5.525 -2.305 3.774 0.00 0.00 -0.168 F ATOM 28 F LIG 1 -7.033 -1.020 2.872 0.00 0.00 -0.168 F ATOM 29 F LIG 1 -5.120 -0.182 3.522 0.00 0.00 -0.168 F ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 3.718 -2.202 1.341 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 C LIG 1 4.359 -0.927 0.845 0.00 0.00 -0.028 A ATOM 32 C LIG 1 3.596 0.191 0.483 0.00 0.00 +0.006 A ATOM 33 C LIG 1 4.214 1.369 0.052 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.611 1.473 -0.019 0.00 0.00 -0.018 A ATOM 35 C LIG 1 6.371 0.356 0.360 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.756 -0.825 0.790 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 6.259 2.713 -0.476 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.239 3.349 0.305 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.854 4.527 -0.129 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.499 5.089 -1.353 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.531 4.475 -2.142 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.916 3.298 -1.706 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8