REMARK Name = BDB035692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.748 0.836 0.227 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.418 1.371 0.788 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.586 2.110 1.740 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.546 0.866 -0.006 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.897 1.110 0.156 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.788 0.512 -0.748 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.286 -0.328 -1.771 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.906 -0.569 -1.919 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.048 0.050 -1.014 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.441 -0.012 -0.916 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.498 0.647 0.440 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.166 0.437 0.027 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.082 1.069 0.664 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.369 1.929 1.730 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.685 2.162 2.140 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.744 1.531 1.497 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.648 -0.061 -0.281 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.034 -2.562 1.477 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.277 -1.839 1.444 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.594 -0.732 0.691 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.828 -0.375 1.000 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -8.319 -1.251 1.937 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.375 -2.121 2.197 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.191 0.889 -1.338 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -7.276 1.906 -1.072 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -7.557 0.723 -1.961 0.00 0.00 +0.005 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 1.369 -1.458 -3.008 0.00 0.00 +0.418 C ATOM 28 F LIG 1 0.632 -2.490 -2.511 0.00 0.00 -0.166 F ATOM 29 F LIG 1 2.333 -2.022 -3.784 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.541 -0.790 -3.856 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 5.279 0.732 -0.598 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 5.820 -0.157 0.429 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 5.488 -1.104 0.248 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 7.283 -0.044 0.552 0.00 0.00 +0.017 C ATOM 35 C LIG 1 7.762 -1.230 1.444 0.00 0.00 +0.022 C ATOM 36 C LIG 1 8.873 -1.479 0.401 0.00 0.00 +0.004 C ATOM 37 C LIG 1 7.977 -0.770 -0.635 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.787 1.323 0.978 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8