REMARK Name = BDB008806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.634 -1.605 0.204 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.624 -0.746 -0.205 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.584 -1.287 0.188 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.230 -2.484 0.782 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.104 -3.372 1.280 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.376 -2.963 1.114 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.816 -1.818 0.550 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.927 -0.926 0.080 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.117 -2.667 0.794 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.826 -1.119 -0.541 0.00 0.00 +0.123 A ATOM 11 C LIG 1 5.149 -2.267 -0.992 0.00 0.00 -0.008 A ATOM 12 C LIG 1 5.881 -3.348 -1.739 0.00 0.00 +0.047 C ATOM 13 C LIG 1 3.777 -2.410 -0.729 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.066 -1.420 -0.039 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.754 -0.294 0.420 0.00 0.00 +0.015 A ATOM 16 C LIG 1 5.122 -0.141 0.166 0.00 0.00 +0.046 A BRANCH 10 18 ATOM 17 C LIG 1 7.896 0.050 -0.346 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.161 -1.060 -0.843 0.00 0.00 -0.495 OA ENDBRANCH 10 18 ENDBRANCH 1 14 BRANCH 6 19 ATOM 19 C LIG 1 -3.405 -3.925 1.649 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -4.614 -3.773 1.631 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -2.806 -5.030 2.179 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -1.826 -4.955 2.097 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.334 0.271 -0.482 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.710 1.034 -0.246 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.740 0.708 -0.483 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.237 1.011 0.926 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.664 -0.191 -1.324 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.937 0.498 -1.891 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.782 -0.270 -0.867 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -5.614 -1.251 -0.695 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.799 0.426 -1.054 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 0.696 1.755 -0.333 0.00 0.00 -0.028 A ATOM 33 C LIG 1 0.680 1.894 1.063 0.00 0.00 +0.006 A ATOM 34 C LIG 1 0.579 3.156 1.656 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.504 4.314 0.870 0.00 0.00 +0.055 A ATOM 36 C LIG 1 0.519 4.181 -0.524 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.619 2.919 -1.116 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 0.373 5.674 1.512 0.00 0.00 +0.417 C ATOM 39 F LIG 1 0.979 5.749 2.730 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.917 6.672 0.763 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.927 6.023 1.716 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10