REMARK Name = BDB025966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.128 -0.267 -0.424 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.520 0.890 -0.976 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.837 0.891 -1.319 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.632 -0.258 -1.156 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.007 -1.399 -0.634 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.692 -2.543 -0.481 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.342 -1.408 -0.272 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.020 -0.322 3.747 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.787 -0.928 2.353 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.849 -1.908 1.968 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -3.926 -3.015 2.929 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.591 -2.410 0.584 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.733 -3.305 0.072 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.395 -1.274 -0.465 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.481 -0.196 -0.047 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.698 0.251 1.345 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.059 -0.256 -1.514 0.00 0.00 +0.079 A ATOM 18 N LIG 1 3.886 -0.864 -0.637 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 5.202 -0.902 -0.898 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.730 -0.336 -1.996 0.00 0.00 -0.223 NA ATOM 21 C LIG 1 4.891 0.272 -2.850 0.00 0.00 +0.116 A ATOM 22 C LIG 1 3.536 0.342 -2.661 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 N LIG 1 6.052 -1.522 0.021 0.00 0.00 -0.295 N ATOM 24 C LIG 1 5.381 -2.542 0.843 0.00 0.00 +0.136 C ATOM 25 C LIG 1 6.365 -3.117 1.873 0.00 0.00 +0.179 C ATOM 26 O LIG 1 7.554 -3.626 1.247 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.221 -2.570 0.537 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.327 -1.970 -0.559 0.00 0.00 +0.136 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.375 1.997 -1.172 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.328 1.798 -0.869 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.093 3.188 -1.792 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.038 3.533 -2.307 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.280 4.087 -1.863 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.844 4.781 -0.710 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.910 5.586 -0.886 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.510 5.768 -2.232 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.487 6.485 -2.398 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.898 5.085 -3.253 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.296 5.222 -4.175 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.807 4.269 -3.084 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.199 4.602 0.628 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.401 3.349 1.109 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.862 4.814 0.599 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.705 5.450 1.562 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6