REMARK Name = BDB020146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.453 0.920 0.586 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.072 -0.312 0.824 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.285 -0.582 0.291 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -1.982 0.353 -0.477 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.437 1.626 -0.701 0.00 0.00 -0.023 A ATOM 6 C LIG 1 -0.179 1.905 -0.161 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.835 -1.921 0.578 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.109 -3.116 0.335 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.286 -3.108 -0.237 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.685 -4.359 0.660 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.967 -4.424 1.194 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.502 -5.617 1.487 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.698 -3.271 1.427 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.134 -2.029 1.124 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.318 0.129 1.899 0.00 0.00 -0.304 N ATOM 16 H LIG 1 1.787 -0.739 1.871 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.812 1.175 1.162 0.00 0.00 +0.263 C ATOM 18 O LIG 1 2.407 2.227 0.960 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 3.693 0.080 2.337 0.00 0.00 +0.160 C BRANCH 19 22 ATOM 20 C LIG 1 6.022 -0.438 -0.614 0.00 0.00 +0.123 A ATOM 21 C LIG 1 5.218 0.190 0.336 0.00 0.00 +0.070 A ATOM 22 C LIG 1 4.581 -0.579 1.306 0.00 0.00 +0.062 A ATOM 23 N LIG 1 4.689 -1.932 1.343 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 5.468 -2.514 0.408 0.00 0.00 +0.114 A ATOM 25 C LIG 1 6.152 -1.820 -0.578 0.00 0.00 +0.065 A BRANCH 20 27 ATOM 26 C LIG 1 7.455 -0.188 -2.497 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.622 0.406 -1.508 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.148 2.658 -1.547 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 N LIG 1 -3.578 2.676 -1.312 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -4.202 3.161 -0.153 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -3.681 3.604 0.934 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -2.665 3.546 0.876 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -5.567 3.072 -0.439 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -6.587 3.598 0.435 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -5.752 2.616 -1.733 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -4.547 2.370 -2.264 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7