REMARK Name = BDB035736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.424 -0.966 -1.747 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.158 -0.583 -0.534 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.338 -0.223 0.517 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.613 -0.665 -0.711 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.611 -0.396 0.209 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.941 -0.550 -0.203 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.217 -0.961 -1.531 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.189 -1.229 -2.455 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.879 -1.072 -2.012 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.593 -1.268 -2.747 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.166 -0.897 -1.329 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.787 -0.833 -1.044 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.815 -1.046 -2.032 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.260 -1.346 -3.329 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.623 -1.407 -3.631 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.572 -1.177 -2.640 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.217 -0.643 -0.246 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.291 -3.766 -0.121 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.064 -2.875 0.985 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.019 -1.500 0.974 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.796 -1.096 2.211 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.689 -2.196 3.023 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.846 -3.258 2.272 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.296 0.875 -0.014 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.212 1.644 0.791 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -5.334 2.583 1.298 0.00 0.00 +0.125 C ATOM 27 C LIG 1 -6.332 1.436 0.998 0.00 0.00 +0.036 C BRANCH 26 28 ATOM 28 O LIG 1 -5.285 3.006 2.673 0.00 0.00 -0.319 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.113 3.696 3.057 0.00 0.00 +0.483 C ATOM 30 F LIG 1 -4.380 4.348 4.213 0.00 0.00 -0.178 F ATOM 31 F LIG 1 -3.837 4.639 2.125 0.00 0.00 -0.178 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 3.484 -1.661 -3.865 0.00 0.00 +0.418 C ATOM 33 F LIG 1 4.808 -1.796 -4.141 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.992 -0.784 -4.784 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.913 -2.861 -4.162 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.080 -0.259 0.751 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 5.773 0.967 0.350 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.074 1.702 0.234 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 6.860 1.321 1.278 0.00 0.00 +0.017 C ATOM 40 C LIG 1 6.273 1.910 2.593 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.269 3.079 2.442 0.00 0.00 +0.004 C ATOM 42 C LIG 1 7.306 2.774 0.929 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.988 0.308 1.362 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10