REMARK Name = BDB014026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.105 1.063 -0.135 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.186 0.319 -1.114 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -1.615 -0.678 -1.715 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.109 0.790 -1.323 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.491 2.175 -1.202 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.124 3.028 -0.142 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.569 4.377 -0.158 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.342 4.892 -1.190 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.693 4.066 -2.239 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.649 2.672 1.104 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.271 2.734 -2.240 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.366 1.343 1.163 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.326 -0.922 0.774 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.324 0.258 0.039 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -3.905 0.210 -0.788 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -2.456 -1.220 1.586 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.538 -1.827 0.443 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.533 -3.084 1.305 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -5.596 -1.748 -1.762 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -4.476 -2.234 -0.977 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -3.578 -1.958 -1.392 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 1.029 -0.162 -1.980 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 2.358 -0.326 -1.250 0.00 0.00 -0.022 A ATOM 24 C LIG 1 2.460 -0.957 0.029 0.00 0.00 -0.012 A ATOM 25 C LIG 1 3.724 -1.024 0.684 0.00 0.00 -0.004 A ATOM 26 C LIG 1 3.800 -1.635 1.971 0.00 0.00 +0.067 A ATOM 27 C LIG 1 2.660 -2.180 2.582 0.00 0.00 +0.015 A ATOM 28 C LIG 1 1.438 -2.136 1.933 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.847 -0.493 0.007 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.747 0.088 -1.254 0.00 0.00 +0.001 A ATOM 31 C LIG 1 1.347 -1.539 0.678 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.513 0.171 -1.877 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 33 C LIG 1 5.074 -1.698 2.739 0.00 0.00 +0.337 C ATOM 34 O LIG 1 5.972 -0.878 2.760 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 5.166 -2.834 3.458 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 6.039 -2.762 3.898 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7