REMARK Name = BDB057322 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.877 -0.614 2.438 0.00 0.00 +0.234 C ATOM 2 N LIG 1 3.258 -1.730 1.937 0.00 0.00 -0.286 N ATOM 3 C LIG 1 3.399 -2.321 0.605 0.00 0.00 +0.107 C ATOM 4 C LIG 1 2.225 -1.660 -0.086 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.258 -1.448 0.921 0.00 0.00 -0.020 A ATOM 6 C LIG 1 0.049 -0.848 0.649 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -0.224 -0.455 -0.676 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.748 -0.700 -1.677 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.981 -1.307 -1.393 0.00 0.00 +0.007 A ATOM 10 C LIG 1 2.951 -3.763 0.931 0.00 0.00 +0.029 C ATOM 11 C LIG 1 1.871 -3.540 2.053 0.00 0.00 +0.029 C ATOM 12 C LIG 1 1.852 -2.003 2.199 0.00 0.00 +0.107 C ATOM 13 O LIG 1 3.332 0.124 3.264 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 14 ATOM 14 N LIG 1 -1.453 0.163 -0.930 0.00 0.00 -0.284 N ATOM 15 H LIG 1 -2.067 0.298 -0.140 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -2.121 0.583 -2.072 0.00 0.00 +0.221 A ATOM 17 N LIG 1 -3.339 1.100 -1.845 0.00 0.00 -0.199 NA ATOM 18 C LIG 1 -4.086 1.527 -2.876 0.00 0.00 +0.136 A ATOM 19 C LIG 1 -3.631 1.407 -4.173 0.00 0.00 +0.113 A ATOM 20 C LIG 1 -2.370 0.874 -4.321 0.00 0.00 +0.130 A ATOM 21 N LIG 1 -1.601 0.468 -3.296 0.00 0.00 -0.222 NA BRANCH 19 22 ATOM 22 C LIG 1 -4.464 1.760 -5.353 0.00 0.00 +0.422 C ATOM 23 F LIG 1 -3.759 1.818 -6.522 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -5.468 0.863 -5.576 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -5.066 2.981 -5.236 0.00 0.00 -0.166 F ENDBRANCH 19 22 BRANCH 18 26 ATOM 26 N LIG 1 -5.376 2.053 -2.629 0.00 0.00 -0.326 N ATOM 27 H LIG 1 -5.495 2.927 -3.143 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -6.096 2.110 -1.390 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -6.168 0.805 -0.576 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -6.026 1.677 0.689 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -5.375 2.762 -0.196 0.00 0.00 +0.022 C ENDBRANCH 26 28 ENDBRANCH 18 26 ENDBRANCH 14 16 ENDBRANCH 7 14 BRANCH 1 32 ATOM 32 C LIG 1 5.301 -0.321 1.950 0.00 0.00 +0.200 C BRANCH 32 35 ATOM 33 C LIG 1 7.899 0.198 4.480 0.00 0.00 +0.109 C ATOM 34 C LIG 1 6.702 0.977 4.011 0.00 0.00 +0.210 C ATOM 35 N LIG 1 6.000 0.450 3.026 0.00 0.00 -0.307 N ATOM 36 H LIG 1 5.299 1.193 3.086 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 6.421 2.097 4.436 0.00 0.00 -0.276 OA ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 7