REMARK Name = BDB038415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.728 0.486 -0.240 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.003 -0.391 0.553 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.366 -1.205 1.382 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.414 -0.162 0.241 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.525 -0.797 0.765 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.785 -0.392 0.308 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.880 0.635 -0.665 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.738 1.271 -1.190 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.501 0.847 -0.715 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.126 1.319 -1.071 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.919 1.804 -1.224 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.589 1.625 -1.107 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.126 0.628 -0.316 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -2.986 -0.203 0.387 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -4.363 -0.011 0.270 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -4.833 1.002 -0.561 0.00 0.00 +0.053 A BRANCH 15 17 ATOM 17 C LIG 1 -5.293 -0.856 1.018 0.00 0.00 +0.079 A ATOM 18 N LIG 1 -5.396 -0.840 2.394 0.00 0.00 -0.266 N ATOM 19 C LIG 1 -4.656 -0.013 3.322 0.00 0.00 +0.173 C ATOM 20 N LIG 1 -6.312 -1.701 2.881 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -6.801 -2.288 1.789 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -6.216 -1.806 0.604 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 -6.498 -2.229 -0.871 0.00 0.00 +0.167 A ATOM 24 N LIG 1 -7.376 -3.177 -1.336 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -8.252 -4.033 -0.586 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -7.265 -3.173 -2.693 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -6.377 -2.281 -3.058 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.892 -1.694 -1.913 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 -4.304 2.839 -2.075 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -3.429 3.253 -2.392 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 -5.421 4.956 -2.487 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -5.215 3.818 -1.499 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 2.845 2.368 -2.214 0.00 0.00 +0.418 C ATOM 34 F LIG 1 2.170 2.073 -3.359 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.318 3.542 -1.765 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.121 2.649 -2.592 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 5.046 -1.054 0.837 0.00 0.00 +0.119 C BRANCH 37 38 ATOM 38 N LIG 1 5.958 -0.113 1.514 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 5.329 0.458 2.714 0.00 0.00 +0.105 C BRANCH 38 40 ATOM 40 C LIG 1 7.234 -0.758 1.907 0.00 0.00 +0.119 C BRANCH 40 41 ATOM 41 C LIG 1 8.099 -1.267 0.726 0.00 0.00 +0.079 C ATOM 42 C LIG 1 9.631 -1.266 1.030 0.00 0.00 +0.036 C ATOM 43 C LIG 1 9.726 0.105 0.339 0.00 0.00 +0.006 C ATOM 44 C LIG 1 8.421 -0.235 -0.399 0.00 0.00 +0.036 C BRANCH 41 45 ATOM 45 O LIG 1 7.614 -2.549 0.249 0.00 0.00 -0.387 OA ATOM 46 H LIG 1 7.801 -3.175 0.968 0.00 0.00 +0.210 HD ENDBRANCH 41 45 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 11