REMARK Name = BDB059770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.101 2.872 0.168 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.012 1.623 0.739 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.934 0.651 0.460 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.006 -0.426 1.050 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.911 0.960 -0.613 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.875 2.197 -1.135 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.810 2.682 -2.213 0.00 0.00 +0.066 C ATOM 8 N LIG 1 1.002 3.163 -0.714 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.838 3.987 0.632 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 -0.761 5.290 -0.168 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -1.371 6.489 -2.300 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -1.439 5.175 -1.536 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -1.037 1.263 1.720 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -2.119 0.377 1.132 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -2.122 -1.000 1.397 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.113 -1.830 0.866 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.127 -1.306 0.054 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -4.114 0.067 -0.224 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.124 0.899 0.309 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -5.167 -2.179 -0.504 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -6.431 -2.350 0.091 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -7.373 -3.237 -0.455 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -7.065 -3.958 -1.607 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -5.821 -3.800 -2.212 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.882 -2.921 -1.665 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -6.813 -1.622 1.304 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -7.179 -2.303 2.397 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -7.187 -3.295 2.555 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -7.443 -1.389 3.342 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -7.774 -1.629 4.493 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -7.277 -0.139 2.801 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -6.854 -0.341 1.448 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 2.819 -0.171 -1.018 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 4.027 -0.355 -0.173 0.00 0.00 +0.232 A ATOM 35 O LIG 1 4.881 0.708 -0.080 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 5.938 0.300 0.734 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 5.623 -0.970 1.033 0.00 0.00 +0.176 A ATOM 38 N LIG 1 4.442 -1.413 0.487 0.00 0.00 -0.195 NA BRANCH 37 39 ATOM 39 C LIG 1 6.464 -1.816 1.915 0.00 0.00 +0.115 C BRANCH 39 40 ATOM 40 C LIG 1 7.338 -2.640 1.000 0.00 0.00 -0.035 A ATOM 41 C LIG 1 6.896 -3.881 0.511 0.00 0.00 +0.042 A ATOM 42 C LIG 1 7.710 -4.631 -0.336 0.00 0.00 +0.126 A ATOM 43 F LIG 1 7.272 -5.813 -0.791 0.00 0.00 -0.205 F ATOM 44 C LIG 1 8.964 -4.176 -0.717 0.00 0.00 +0.076 A ATOM 45 C LIG 1 9.400 -2.948 -0.240 0.00 0.00 +0.126 A ATOM 46 F LIG 1 10.607 -2.493 -0.601 0.00 0.00 -0.205 F ATOM 47 C LIG 1 8.605 -2.179 0.609 0.00 0.00 +0.042 A ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11