REMARK Name = BDB025900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.356 -0.982 -0.400 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.821 0.280 -0.748 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.554 0.443 -0.933 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.438 -0.643 -0.785 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.883 -1.886 -0.438 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.673 -2.963 -0.295 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.487 -2.061 -0.243 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.884 -3.820 -0.456 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.871 -2.339 -0.869 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.492 -1.441 0.118 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.918 -1.623 0.313 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.686 -1.196 1.338 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.153 -1.942 2.596 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.155 -1.438 1.150 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.754 -1.085 -0.222 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.426 -1.890 -1.271 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.890 -0.467 -0.987 0.00 0.00 -0.009 A ATOM 18 C LIG 1 3.824 -0.987 -0.082 0.00 0.00 +0.075 A ATOM 19 C LIG 1 5.178 -0.793 -0.311 0.00 0.00 +0.215 A ATOM 20 N LIG 1 5.667 -0.114 -1.366 0.00 0.00 -0.221 NA ATOM 21 C LIG 1 4.763 0.385 -2.231 0.00 0.00 +0.115 A ATOM 22 C LIG 1 3.391 0.237 -2.089 0.00 0.00 +0.028 A BRANCH 19 23 ATOM 23 O LIG 1 6.030 -1.316 0.640 0.00 0.00 -0.476 OA BRANCH 23 24 ATOM 24 C LIG 1 7.428 -1.206 0.363 0.00 0.00 +0.236 C BRANCH 24 25 ATOM 25 C LIG 1 8.117 -0.174 1.289 0.00 0.00 -0.004 C ATOM 26 C LIG 1 7.876 -0.537 2.765 0.00 0.00 +0.014 C ATOM 27 C LIG 1 9.629 -0.188 1.008 0.00 0.00 +0.014 C ATOM 28 C LIG 1 7.577 1.243 1.035 0.00 0.00 +0.014 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.770 1.316 -0.867 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.712 0.983 -0.656 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.569 2.619 -1.236 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.523 3.140 -1.600 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.831 3.413 -1.222 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.584 3.727 -0.011 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.717 4.452 -0.112 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.197 4.929 -1.433 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.231 5.575 -1.535 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.407 4.604 -2.506 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.724 4.944 -3.408 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.250 3.870 -2.413 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.054 3.274 1.314 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.165 1.930 1.465 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.751 3.596 1.493 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.733 3.826 2.355 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8