REMARK Name = BDB008362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.344 -0.231 -0.356 0.00 0.00 +0.155 C ATOM 2 N LIG 1 2.036 -0.927 -0.331 0.00 0.00 -0.285 N ATOM 3 C LIG 1 0.942 -0.263 -0.882 0.00 0.00 +0.250 C ATOM 4 O LIG 1 1.029 0.801 -1.489 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 1.967 -2.204 0.397 0.00 0.00 +0.133 C ATOM 6 C LIG 1 2.958 -3.222 -0.194 0.00 0.00 +0.105 C ATOM 7 C LIG 1 2.473 -3.744 -1.547 0.00 0.00 +0.032 C ATOM 8 N LIG 1 4.267 -2.598 -0.312 0.00 0.00 -0.302 N ATOM 9 C LIG 1 5.512 -3.170 -0.294 0.00 0.00 +0.238 A ATOM 10 N LIG 1 6.407 -2.207 -0.434 0.00 0.00 -0.125 NA ATOM 11 N LIG 1 5.746 -1.006 -0.514 0.00 0.00 -0.132 NA ATOM 12 C LIG 1 4.456 -1.242 -0.418 0.00 0.00 +0.155 A ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -0.403 -0.800 -0.667 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -0.922 -1.766 -1.519 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -0.186 -2.265 -2.521 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.210 -2.249 -1.318 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -2.984 -1.746 -0.268 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -2.479 -0.748 0.583 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -1.172 -0.284 0.382 0.00 0.00 +0.020 A BRANCH 18 20 ATOM 20 C LIG 1 -3.319 -0.196 1.714 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 -4.673 0.331 1.255 0.00 0.00 +0.074 A ATOM 22 C LIG 1 -4.776 1.667 0.614 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -6.043 2.076 0.201 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -6.227 3.320 -0.417 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -5.134 4.160 -0.621 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -3.864 3.758 -0.209 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.193 1.186 0.421 0.00 0.00 +0.272 A ATOM 28 O LIG 1 -8.326 1.504 0.076 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -6.922 -0.013 1.033 0.00 0.00 -0.242 N ATOM 30 H LIG 1 -7.705 -0.637 1.196 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -3.682 2.517 0.409 0.00 0.00 +0.010 A ATOM 32 N LIG 1 -5.700 -0.446 1.442 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 13 BRANCH 9 33 ATOM 33 C LIG 1 5.762 -4.622 -0.124 0.00 0.00 +0.452 C ATOM 34 F LIG 1 7.076 -4.940 -0.031 0.00 0.00 -0.163 F ATOM 35 F LIG 1 5.164 -5.096 1.004 0.00 0.00 -0.163 F ATOM 36 F LIG 1 5.251 -5.347 -1.154 0.00 0.00 -0.163 F ENDBRANCH 9 33 BRANCH 1 37 ATOM 37 C LIG 1 3.547 0.659 0.876 0.00 0.00 +0.151 C BRANCH 37 38 ATOM 38 C LIG 1 2.576 1.802 0.902 0.00 0.00 +0.309 C ATOM 39 O LIG 1 1.561 1.815 1.590 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 2.984 2.796 0.071 0.00 0.00 -0.465 OA BRANCH 40 42 ATOM 41 C LIG 1 2.607 4.865 -1.061 0.00 0.00 +0.048 C ATOM 42 C LIG 1 2.067 3.891 -0.034 0.00 0.00 +0.229 C ENDBRANCH 40 42 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 8