REMARK Name = BDB025720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.307 -0.047 -0.057 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.586 -1.434 -0.097 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.483 -2.330 -0.143 0.00 0.00 +0.064 A ATOM 4 C LIG 1 1.794 -1.855 -0.142 0.00 0.00 +0.133 A ATOM 5 F LIG 1 2.782 -2.764 -0.172 0.00 0.00 -0.205 F ATOM 6 C LIG 1 2.098 -0.485 -0.101 0.00 0.00 +0.022 A ATOM 7 C LIG 1 1.014 0.413 -0.062 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -1.941 -1.850 -0.117 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.372 -2.201 -1.495 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.806 -2.804 -1.480 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.814 -1.711 -1.075 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.879 -4.067 -0.695 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.215 -4.418 -0.238 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.779 -4.206 0.293 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.022 -5.227 1.413 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.308 -2.858 0.911 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.486 0.001 -0.099 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.493 -0.540 -0.873 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.775 -0.109 -0.888 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 6.100 0.921 -0.093 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.197 1.520 0.699 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.928 1.054 0.678 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.394 1.400 -0.108 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.764 2.347 0.946 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.241 2.740 0.785 0.00 0.00 +0.179 C ATOM 26 O LIG 1 10.147 1.629 0.869 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.564 0.385 0.448 0.00 0.00 +0.179 C ATOM 28 C LIG 1 8.464 0.538 -0.615 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 30 ATOM 29 C LIG 1 -1.494 2.166 0.014 0.00 0.00 +0.248 C ATOM 30 N LIG 1 -1.439 0.792 0.002 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.302 0.254 -0.006 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -0.540 2.931 -0.073 0.00 0.00 -0.270 OA BRANCH 29 36 ATOM 33 C LIG 1 -5.422 3.911 0.225 0.00 0.00 +0.120 A ATOM 34 C LIG 1 -4.382 4.566 -0.436 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -3.109 3.986 -0.490 0.00 0.00 +0.016 A ATOM 36 C LIG 1 -2.867 2.743 0.107 0.00 0.00 +0.037 A ATOM 37 C LIG 1 -3.906 2.094 0.785 0.00 0.00 +0.016 A ATOM 38 C LIG 1 -5.175 2.678 0.835 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 -7.003 5.628 -0.226 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -6.706 4.362 0.351 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 6