REMARK Name = BDB035698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.973 0.673 0.327 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.005 1.346 1.081 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.091 1.988 2.111 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.284 1.137 0.411 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.535 1.595 0.787 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.630 1.243 -0.014 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.424 0.441 -1.164 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.144 -0.019 -1.530 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.077 0.349 -0.714 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.375 0.010 -0.825 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.607 -0.268 0.080 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.224 -0.175 -0.185 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.366 0.610 0.606 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.935 1.319 1.669 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.306 1.258 1.932 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.139 0.473 1.142 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.494 -1.155 -0.795 0.00 0.00 +0.096 C BRANCH 17 20 ATOM 18 C LIG 1 -4.724 -3.393 1.282 0.00 0.00 +0.176 C ATOM 19 N LIG 1 -6.042 -2.967 0.905 0.00 0.00 -0.232 N ATOM 20 C LIG 1 -6.432 -1.999 0.014 0.00 0.00 +0.159 A ATOM 21 N LIG 1 -7.749 -1.957 0.038 0.00 0.00 -0.113 NA ATOM 22 N LIG 1 -8.157 -2.899 0.946 0.00 0.00 -0.023 NA ATOM 23 N LIG 1 -7.119 -3.519 1.483 0.00 0.00 -0.044 NA ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.117 -0.274 -1.878 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -7.265 0.707 -1.588 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -7.924 0.321 -2.827 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.111 -0.881 -2.882 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.930 -0.890 -2.739 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.403 -2.102 -2.408 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.061 -1.149 -3.446 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.049 -0.339 -3.621 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.028 1.684 0.366 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.817 0.527 0.789 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.321 0.055 1.546 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.205 0.881 1.130 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.008 -0.455 1.163 0.00 0.00 +0.022 C ATOM 37 C LIG 1 9.105 0.269 0.352 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.005 1.222 -0.161 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.356 1.762 2.358 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8