REMARK Name = BDB038943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.168 -0.110 0.347 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.979 -0.810 0.450 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.745 -0.063 0.235 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.511 -0.917 0.081 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.555 -2.325 0.207 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.397 -3.098 0.037 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.158 -2.509 -0.232 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.124 -1.114 -0.330 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.895 -0.209 -0.567 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.348 1.057 -0.581 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.946 0.998 -0.333 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.875 -3.008 0.466 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.259 -0.327 -0.183 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.867 -2.078 1.159 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.252 1.045 -0.053 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.094 2.339 -0.843 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.542 3.032 -2.099 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.244 4.364 -2.357 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.171 5.284 -1.142 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.704 4.603 0.115 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.000 3.273 0.375 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.491 -0.157 0.641 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.245 -0.846 0.740 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.284 -0.596 -0.775 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.005 -0.938 0.543 0.00 0.00 +0.150 C BRANCH 25 26 ATOM 26 C LIG 1 -4.181 -1.887 0.375 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.470 -2.788 1.409 0.00 0.00 +0.162 A ATOM 28 F LIG 1 -3.704 -2.782 2.512 0.00 0.00 -0.202 F ATOM 29 C LIG 1 -5.544 -3.667 1.319 0.00 0.00 +0.159 A ATOM 30 F LIG 1 -5.796 -4.524 2.317 0.00 0.00 -0.202 F ATOM 31 C LIG 1 -6.365 -3.659 0.200 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -6.112 -2.752 -0.830 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.031 -1.866 -0.742 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -3.470 0.328 1.242 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -3.857 1.331 0.660 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.475 0.236 2.592 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -3.210 -0.636 2.951 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7