REMARK Name = BDB039106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.025 -0.013 0.093 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.848 0.714 0.036 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.600 -0.029 0.165 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.376 0.827 0.373 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.443 2.240 0.369 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.292 3.011 0.582 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.042 2.418 0.775 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.019 1.020 0.751 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.058 0.111 0.883 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.527 -1.165 0.775 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.778 -1.089 0.578 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.776 2.922 0.192 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.110 0.237 0.559 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.767 2.040 -0.563 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.084 -1.200 0.391 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.210 -2.514 0.811 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.458 -2.654 1.682 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.938 -4.106 1.723 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -3.205 -4.637 0.316 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.985 -4.481 -0.587 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.466 -3.043 -0.610 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.352 0.020 -0.162 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.119 0.736 -0.217 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.437 0.512 1.105 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.305 0.463 -0.161 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 -2.957 1.560 -1.157 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -2.184 1.248 -2.289 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -1.828 2.246 -3.192 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -1.093 1.928 -4.267 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.228 3.558 -2.984 0.00 0.00 +0.158 A ATOM 31 F LIG 1 -1.885 4.518 -3.854 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -2.989 3.891 -1.869 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -3.351 2.896 -0.955 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -4.760 0.507 0.256 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -5.221 1.098 1.219 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.565 -0.184 -0.574 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -6.471 -0.050 -0.223 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7