REMARK Name = BDB041162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.820 -1.042 0.255 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -4.491 -1.126 1.423 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -3.696 -0.967 2.502 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.337 -0.729 2.409 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -1.791 -0.598 3.653 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -2.811 -0.763 4.540 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.702 -0.643 1.175 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -4.000 -0.991 3.881 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.495 -0.798 0.088 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.531 -2.253 -1.800 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -4.613 -1.154 -0.957 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -5.508 -0.160 -1.353 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.250 -0.284 -2.485 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -6.082 -1.393 -3.215 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -5.252 -2.398 -2.931 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.706 1.111 -0.543 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.612 2.155 -0.498 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.881 2.442 -1.241 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -3.579 -4.321 -2.396 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -3.677 -3.279 -1.431 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 -0.334 -0.418 1.054 0.00 0.00 -0.322 N ATOM 22 H LIG 1 0.058 0.005 1.890 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.094 0.175 -0.199 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.587 0.411 -0.146 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.473 -0.675 -0.107 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.854 -0.468 -0.055 0.00 0.00 +0.012 A ATOM 27 C LIG 1 4.377 0.830 -0.029 0.00 0.00 +0.017 A ATOM 28 C LIG 1 3.493 1.914 -0.088 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.111 1.710 -0.139 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.819 1.082 0.025 0.00 0.00 +0.141 A ATOM 31 N LIG 1 6.704 0.519 0.923 0.00 0.00 -0.333 N ATOM 32 C LIG 1 6.388 -0.358 2.024 0.00 0.00 +0.150 C ATOM 33 C LIG 1 7.956 0.994 0.645 0.00 0.00 +0.116 A ATOM 34 C LIG 1 7.796 1.877 -0.403 0.00 0.00 +0.125 A ATOM 35 N LIG 1 6.462 1.931 -0.760 0.00 0.00 -0.227 NA BRANCH 34 36 ATOM 36 C LIG 1 8.828 2.700 -1.098 0.00 0.00 +0.391 C ATOM 37 F LIG 1 9.424 3.572 -0.237 0.00 0.00 -0.202 F ATOM 38 F LIG 1 9.831 1.920 -1.592 0.00 0.00 -0.202 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 8