REMARK Name = BDB008790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.911 -1.552 1.118 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.538 -1.464 0.897 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.349 -1.799 1.905 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.639 -1.621 1.517 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.599 -1.188 0.266 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.013 -2.247 3.115 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.338 -2.351 3.236 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.279 -1.138 -0.171 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.293 -2.035 2.319 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.798 -0.833 -0.509 0.00 0.00 +0.106 A ATOM 11 N LIG 1 2.610 -0.063 -1.606 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 3.712 0.304 -2.298 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.002 -0.059 -1.949 0.00 0.00 +0.023 A ATOM 14 C LIG 1 5.188 -0.851 -0.815 0.00 0.00 -0.044 A ATOM 15 C LIG 1 4.061 -1.238 -0.084 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.572 -1.251 -0.367 0.00 0.00 +0.035 C BRANCH 16 17 ATOM 17 C LIG 1 7.312 -0.142 0.389 0.00 0.00 +0.008 C BRANCH 17 18 ATOM 18 C LIG 1 6.738 0.115 1.754 0.00 0.00 -0.011 C ATOM 19 C LIG 1 5.692 1.179 1.966 0.00 0.00 +0.004 C ATOM 20 C LIG 1 7.088 1.386 2.484 0.00 0.00 +0.004 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -2.858 -1.172 0.174 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.546 -0.348 -0.331 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -4.913 -2.463 0.427 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -4.263 -1.085 0.591 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -5.003 -0.071 -0.304 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -4.612 1.425 -0.118 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.807 1.567 0.840 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -6.435 0.350 0.138 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 29 ATOM 29 C LIG 1 -1.889 -2.877 4.535 0.00 0.00 +0.375 C ATOM 30 O LIG 1 -1.246 -3.209 5.516 0.00 0.00 -0.242 OA BRANCH 29 31 ATOM 31 O LIG 1 -3.251 -2.941 4.481 0.00 0.00 -0.475 OA ATOM 32 H LIG 1 -3.552 -2.632 3.594 0.00 0.00 +0.296 HD ENDBRANCH 29 31 ENDBRANCH 7 29 BRANCH 8 33 ATOM 33 C LIG 1 -0.170 -0.982 -1.552 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 C LIG 1 -0.745 0.381 -1.873 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -1.763 0.472 -2.837 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -2.322 1.707 -3.176 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.864 2.886 -2.574 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.839 2.800 -1.622 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.279 1.565 -1.285 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -2.488 4.216 -2.918 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -2.912 4.287 -4.210 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.581 4.483 -2.151 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.641 5.269 -2.745 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 12