REMARK Name = BDB026274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.575 -0.621 -0.271 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.986 0.660 -0.154 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.338 0.870 -0.554 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.104 -0.181 -1.089 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.505 -1.443 -1.194 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.185 -2.481 -1.705 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.811 -1.668 -0.795 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.035 -3.850 2.210 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.928 -2.978 0.952 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.280 -2.622 0.444 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.936 -3.761 -0.204 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.252 -1.447 -0.470 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.950 -0.280 0.238 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.838 -1.044 -0.969 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.914 -0.793 0.158 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.063 -1.730 1.298 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.514 0.047 -1.494 0.00 0.00 -0.024 C ATOM 18 C LIG 1 3.534 -0.975 -1.036 0.00 0.00 +0.146 C ATOM 19 N LIG 1 4.902 -0.504 -1.228 0.00 0.00 -0.263 N ATOM 20 C LIG 1 5.895 -1.127 -0.494 0.00 0.00 +0.403 C ATOM 21 O LIG 1 5.685 -1.933 0.406 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 5.178 0.217 -2.467 0.00 0.00 +0.115 C ATOM 23 C LIG 1 4.254 1.421 -2.637 0.00 0.00 +0.046 C ATOM 24 C LIG 1 2.842 1.133 -2.222 0.00 0.00 -0.020 C BRANCH 20 25 ATOM 25 O LIG 1 7.149 -0.749 -0.872 0.00 0.00 -0.447 OA BRANCH 25 26 ATOM 26 C LIG 1 8.220 -1.361 -0.127 0.00 0.00 +0.189 C ATOM 27 C LIG 1 9.631 -0.835 -0.469 0.00 0.00 +0.120 C ATOM 28 C LIG 1 9.969 -0.949 1.031 0.00 0.00 +0.256 C ATOM 29 F LIG 1 10.545 -2.116 1.402 0.00 0.00 -0.205 F ATOM 30 F LIG 1 10.734 0.043 1.537 0.00 0.00 -0.205 F ATOM 31 C LIG 1 8.458 -0.842 1.309 0.00 0.00 +0.120 C ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -1.817 1.663 0.388 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -2.752 1.313 0.593 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -1.507 2.970 0.666 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.427 3.530 0.518 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.645 3.708 1.287 0.00 0.00 +0.062 A ATOM 37 C LIG 1 -3.888 4.038 0.598 0.00 0.00 +0.036 A ATOM 38 C LIG 1 -4.848 4.713 1.261 0.00 0.00 +0.080 A ATOM 39 C LIG 1 -4.649 5.123 2.675 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -5.521 5.726 3.285 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -3.440 4.785 3.229 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -3.293 5.077 4.189 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -2.456 4.101 2.558 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -4.057 3.653 -0.839 0.00 0.00 +0.372 C ATOM 45 F LIG 1 -4.207 2.308 -0.962 0.00 0.00 -0.204 F ATOM 46 F LIG 1 -2.978 3.997 -1.588 0.00 0.00 -0.204 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7