REMARK Name = BDB035548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.157 -1.263 1.201 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.084 -1.524 2.590 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.882 -1.375 3.312 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.757 -0.967 2.602 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -0.638 -0.710 3.072 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.355 -0.344 1.858 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.497 -0.324 0.753 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.703 -0.051 -0.414 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.833 -0.721 1.235 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.004 -0.858 0.514 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.744 -0.037 1.861 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.441 0.266 0.680 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.823 0.582 0.646 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.490 0.581 1.884 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.828 0.279 3.073 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.468 -0.029 3.059 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.556 0.918 -0.744 0.00 0.00 +0.057 C ATOM 18 C LIG 1 -4.960 2.157 -1.538 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.371 2.566 -1.836 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -6.749 4.008 -1.927 0.00 0.00 +0.169 C ATOM 21 O LIG 1 -7.497 3.744 -3.151 0.00 0.00 -0.379 OA ATOM 22 C LIG 1 -6.929 2.397 -3.219 0.00 0.00 +0.169 C ATOM 23 C LIG 1 -6.920 1.720 -0.718 0.00 0.00 +0.030 C BRANCH 17 24 ATOM 24 C LIG 1 -5.682 -0.385 -1.653 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -6.199 -1.605 -1.314 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.747 -2.021 -0.053 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -6.121 -2.373 -2.435 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -5.605 -1.670 -3.414 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -5.329 -0.417 -2.923 0.00 0.00 -0.134 NA ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.835 -1.697 4.780 0.00 0.00 +0.372 C ATOM 31 F LIG 1 0.798 -1.097 5.430 0.00 0.00 -0.204 F ATOM 32 F LIG 1 2.959 -1.308 5.442 0.00 0.00 -0.204 F ENDBRANCH 3 30 BRANCH 1 33 ATOM 33 C LIG 1 4.469 -1.431 0.453 0.00 0.00 +0.120 C BRANCH 33 35 ATOM 34 C LIG 1 6.176 -0.402 -1.022 0.00 0.00 +0.074 C ATOM 35 N LIG 1 4.953 -0.198 -0.188 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 5.204 0.844 0.841 0.00 0.00 +0.100 C ATOM 37 C LIG 1 5.761 2.165 0.273 0.00 0.00 +0.099 C ATOM 38 N LIG 1 6.979 2.012 -0.533 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 8.151 1.718 0.286 0.00 0.00 +0.105 C ATOM 40 C LIG 1 6.737 0.972 -1.548 0.00 0.00 +0.103 C BRANCH 34 42 ATOM 41 C LIG 1 4.728 -1.149 -3.047 0.00 0.00 +0.009 C ATOM 42 C LIG 1 6.033 -1.345 -2.269 0.00 0.00 +0.001 C ATOM 43 C LIG 1 6.272 -2.828 -1.966 0.00 0.00 +0.009 C ENDBRANCH 34 42 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 7