REMARK Name = BDB048089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.587 2.161 -0.936 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -2.738 2.561 -1.864 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.307 1.860 -1.724 0.00 0.00 +0.085 C BRANCH 3 4 ATOM 4 C LIG 1 0.873 1.527 -0.813 0.00 0.00 +0.232 C BRANCH 4 5 ATOM 5 O LIG 1 2.009 1.297 -1.649 0.00 0.00 -0.492 OA BRANCH 5 11 ATOM 6 C LIG 1 6.655 0.215 -2.383 0.00 0.00 +0.044 C ATOM 7 C LIG 1 5.535 0.409 -1.399 0.00 0.00 -0.044 A ATOM 8 C LIG 1 5.726 0.289 -0.008 0.00 0.00 -0.044 A ATOM 9 C LIG 1 4.635 0.511 0.849 0.00 0.00 +0.007 A ATOM 10 C LIG 1 3.374 0.848 0.347 0.00 0.00 +0.046 A ATOM 11 C LIG 1 3.182 0.973 -1.024 0.00 0.00 +0.121 A ATOM 12 C LIG 1 4.261 0.755 -1.885 0.00 0.00 +0.049 A BRANCH 8 13 ATOM 13 C LIG 1 7.061 -0.092 0.601 0.00 0.00 +0.046 C BRANCH 13 14 ATOM 14 C LIG 1 7.267 -1.603 0.688 0.00 0.00 +0.125 C BRANCH 14 15 ATOM 15 C LIG 1 6.486 -2.226 1.812 0.00 0.00 +0.305 C ATOM 16 O LIG 1 6.150 -1.701 2.861 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 6.215 -3.526 1.583 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 5.722 -3.812 2.381 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 5 11 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 O LIG 1 -1.890 1.127 0.020 0.00 0.00 -0.485 OA BRANCH 19 20 ATOM 20 C LIG 1 -2.661 0.090 -0.427 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -4.011 0.028 -0.067 0.00 0.00 +0.170 A ATOM 22 C LIG 1 -4.805 -1.043 -0.494 0.00 0.00 +0.062 A ATOM 23 C LIG 1 -4.241 -2.088 -1.242 0.00 0.00 +0.059 A ATOM 24 C LIG 1 -2.870 -2.045 -1.541 0.00 0.00 +0.016 A ATOM 25 C LIG 1 -2.083 -0.964 -1.131 0.00 0.00 +0.050 A BRANCH 23 26 ATOM 26 C LIG 1 -5.088 -3.260 -1.672 0.00 0.00 +0.418 C ATOM 27 F LIG 1 -4.628 -3.864 -2.804 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -5.141 -4.235 -0.724 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -6.380 -2.919 -1.934 0.00 0.00 -0.166 F ENDBRANCH 23 26 BRANCH 21 30 ATOM 30 O LIG 1 -4.553 1.073 0.648 0.00 0.00 -0.452 OA BRANCH 30 31 ATOM 31 C LIG 1 -5.210 0.750 1.814 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.667 -0.108 2.774 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.374 -0.370 3.948 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -6.613 0.234 4.167 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.142 1.109 3.218 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.437 1.373 2.044 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 21 30 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13