REMARK Name = BDB008802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.887 -1.496 0.101 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.803 -0.883 -0.511 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.236 -1.791 -0.553 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.303 -2.935 0.009 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.352 -4.097 0.149 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.605 -4.023 -0.336 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.216 -2.960 -0.896 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.553 -1.794 -1.011 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.592 -2.747 0.403 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.766 0.214 0.759 0.00 0.00 -0.019 A ATOM 11 C LIG 1 4.622 0.846 1.265 0.00 0.00 +0.007 A ATOM 12 C LIG 1 3.353 0.294 1.060 0.00 0.00 +0.012 A ATOM 13 C LIG 1 3.201 -0.892 0.333 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.344 -1.535 -0.155 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.612 -0.985 0.049 0.00 0.00 +0.007 A BRANCH 10 17 ATOM 16 C LIG 1 7.771 1.331 -0.296 0.00 0.00 +0.043 C ATOM 17 C LIG 1 7.137 0.814 0.988 0.00 0.00 +0.141 C BRANCH 17 18 ATOM 18 O LIG 1 8.005 -0.156 1.571 0.00 0.00 -0.387 OA ATOM 19 H LIG 1 7.460 -0.726 2.140 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 C LIG 1 -2.400 -5.295 -0.205 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -3.557 -5.457 -0.553 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -1.652 -6.278 0.372 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -0.748 -5.940 0.578 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.174 -0.689 -1.573 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -1.805 0.198 -1.260 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.639 -0.682 -1.664 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.014 0.183 -2.872 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.252 -0.068 -0.401 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.801 -0.124 -0.266 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.586 -0.295 1.252 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.212 -0.904 0.910 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.815 0.434 -1.136 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.064 1.505 -0.370 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.219 2.709 -1.035 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.922 3.735 -0.399 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.363 3.583 0.922 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.067 2.391 1.596 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.360 1.366 0.960 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -2.106 4.696 1.622 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -2.775 5.515 0.764 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.274 5.500 2.339 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.039 4.238 2.503 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11