REMARK Name = BDB014185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.125 -1.139 -1.056 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.130 -1.804 -2.276 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.363 -2.885 -2.477 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.927 -1.345 -3.319 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.741 -0.224 -3.131 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.777 0.436 -1.890 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.949 -0.025 -0.854 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.900 -2.119 1.020 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.306 -1.631 0.061 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.072 -1.479 -0.004 0.00 0.00 -0.294 N ATOM 11 C LIG 1 1.896 -1.926 1.119 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.837 -0.817 1.629 0.00 0.00 +0.125 C ATOM 13 N LIG 1 3.575 -0.146 0.535 0.00 0.00 -0.312 N ATOM 14 C LIG 1 3.298 -0.638 -0.827 0.00 0.00 +0.125 C ATOM 15 C LIG 1 1.778 -0.735 -1.058 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 4.922 0.159 0.788 0.00 0.00 +0.124 A ATOM 17 N LIG 1 5.839 -0.135 -0.153 0.00 0.00 -0.211 NA ATOM 18 C LIG 1 7.115 0.191 0.133 0.00 0.00 +0.179 A ATOM 19 C LIG 1 7.501 0.807 1.315 0.00 0.00 +0.085 A ATOM 20 N LIG 1 8.856 0.955 1.193 0.00 0.00 -0.343 N ATOM 21 H LIG 1 9.475 1.374 1.872 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 9.224 0.436 -0.018 0.00 0.00 +0.199 A ATOM 23 C LIG 1 6.583 1.141 2.297 0.00 0.00 +0.033 A ATOM 24 N LIG 1 8.193 -0.034 -0.682 0.00 0.00 -0.217 NA ATOM 25 C LIG 1 5.263 0.799 1.994 0.00 0.00 +0.046 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -3.655 1.656 -1.714 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -4.352 1.736 -0.362 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.514 0.858 -0.069 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -6.100 0.979 1.190 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.198 0.186 1.545 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.712 -0.734 0.633 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.130 -0.861 -0.627 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.553 1.954 2.147 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -6.043 2.102 3.261 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.474 2.684 1.714 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -4.081 3.359 2.363 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -6.034 -0.068 -0.982 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -3.877 2.591 0.496 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4