REMARK Name = BDB040348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.700 -0.498 0.909 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.702 -1.011 0.061 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.549 -0.410 -0.028 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -0.859 0.682 0.704 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 0.067 1.201 1.529 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.342 0.649 1.633 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.551 -0.901 -0.884 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.468 -1.967 -1.769 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.543 -2.715 -2.033 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.781 -2.074 -2.419 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.206 -2.982 -3.370 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.518 -2.865 -3.830 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.364 -1.855 -3.335 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.918 -0.935 -2.366 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -3.606 -1.069 -1.918 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -2.853 -0.256 -0.912 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.814 0.149 -1.829 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -7.062 0.147 -2.371 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -5.307 1.392 -2.053 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -5.987 0.053 -0.483 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 3.179 -1.175 0.991 0.00 0.00 +0.049 C ATOM 22 C LIG 1 3.866 -1.190 2.394 0.00 0.00 +0.174 C ATOM 23 O LIG 1 3.420 -2.552 2.627 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 3.191 -2.723 1.206 0.00 0.00 +0.174 C BRANCH 21 25 ATOM 25 C LIG 1 4.005 -0.612 -0.178 0.00 0.00 +0.092 C BRANCH 25 28 ATOM 26 C LIG 1 4.860 -2.682 -2.351 0.00 0.00 +0.151 C ATOM 27 N LIG 1 5.706 -2.104 -1.341 0.00 0.00 -0.320 N ATOM 28 C LIG 1 5.360 -1.196 -0.372 0.00 0.00 +0.134 A ATOM 29 N LIG 1 6.436 -0.908 0.331 0.00 0.00 -0.135 NA ATOM 30 N LIG 1 7.484 -1.646 -0.163 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 7.031 -2.358 -1.167 0.00 0.00 +0.224 A ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 BRANCH 5 32 ATOM 32 N LIG 1 -0.209 2.361 2.280 0.00 0.00 -0.326 N ATOM 33 H LIG 1 0.049 2.166 3.246 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 C LIG 1 -1.577 2.879 2.172 0.00 0.00 +0.078 C ATOM 35 C LIG 1 -1.801 3.579 0.824 0.00 0.00 +0.097 C ATOM 36 C LIG 1 -2.546 4.836 1.192 0.00 0.00 +0.251 C ATOM 37 F LIG 1 -3.858 4.560 1.383 0.00 0.00 -0.206 F ATOM 38 F LIG 1 -2.462 5.780 0.238 0.00 0.00 -0.206 F ATOM 39 C LIG 1 -1.918 5.278 2.491 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -1.797 3.964 3.250 0.00 0.00 +0.028 C ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 7