REMARK Name = BDB035444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.213 0.816 -0.607 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.483 1.368 -0.818 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.829 2.503 -1.088 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.456 0.281 -0.652 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.834 0.329 -0.758 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.552 -0.860 -0.559 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.856 -2.051 -0.242 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.452 -2.081 -0.133 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.768 -0.887 -0.349 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.302 -0.605 -0.303 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.511 1.450 -0.476 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.240 0.829 -0.412 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.032 1.501 -0.686 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.109 2.850 -1.035 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.339 3.501 -1.114 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.516 2.809 -0.840 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -4.886 0.686 -0.146 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.911 -0.893 -0.109 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -6.177 -0.845 -0.923 0.00 0.00 -0.022 C ATOM 20 C LIG 1 -6.424 -1.892 -1.979 0.00 0.00 +0.038 C ATOM 21 C LIG 1 -7.926 -1.831 -1.586 0.00 0.00 +0.116 C ATOM 22 C LIG 1 -7.498 -1.153 -0.256 0.00 0.00 +0.038 C ATOM 23 C LIG 1 -5.903 0.576 -1.356 0.00 0.00 +0.026 C BRANCH 17 26 ATOM 24 C LIG 1 -3.716 0.961 2.854 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -5.010 1.400 2.412 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.551 1.311 1.159 0.00 0.00 +0.144 A ATOM 27 N LIG 1 -6.753 1.851 1.179 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 -7.005 2.285 2.457 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -5.948 2.012 3.185 0.00 0.00 +0.224 A ENDBRANCH 17 26 BRANCH 21 30 ATOM 30 O LIG 1 -8.587 -3.102 -1.460 0.00 0.00 -0.392 OA ATOM 31 H LIG 1 -9.456 -2.890 -1.076 0.00 0.00 +0.210 HD ENDBRANCH 21 30 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 1.709 -3.346 0.201 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.517 -4.414 0.437 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.862 -3.723 -0.795 0.00 0.00 -0.166 F ATOM 35 F LIG 1 0.932 -3.207 1.312 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 6.062 -0.851 -0.645 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.632 -0.359 0.608 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 6.358 -0.981 1.367 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 8.081 -0.130 0.517 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.358 1.164 -0.300 0.00 0.00 +0.022 C ATOM 41 C LIG 1 9.290 1.613 0.846 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.483 0.688 1.781 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.913 -1.369 0.247 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 8