REMARK Name = BDB058446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.193 0.690 1.325 0.00 0.00 +0.011 A ATOM 2 C LIG 1 0.409 -0.095 0.324 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.802 -0.075 0.162 0.00 0.00 +0.091 A ATOM 4 C LIG 1 2.598 0.730 0.982 0.00 0.00 +0.124 A ATOM 5 C LIG 1 1.996 1.525 1.957 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.613 1.511 2.127 0.00 0.00 +0.012 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.693 0.689 1.536 0.00 0.00 +0.140 C BRANCH 7 8 ATOM 8 N LIG 1 -2.316 1.637 0.617 0.00 0.00 -0.340 N ATOM 9 H LIG 1 -1.887 1.574 -0.305 0.00 0.00 +0.146 HD BRANCH 8 12 ATOM 10 C LIG 1 -5.960 1.376 1.402 0.00 0.00 +0.061 A ATOM 11 C LIG 1 -4.571 1.247 1.537 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.712 1.665 0.516 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.286 2.273 -0.612 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -5.672 2.388 -0.760 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -6.517 1.927 0.244 0.00 0.00 +0.015 A BRANCH 10 17 ATOM 16 O LIG 1 -6.628 -0.158 3.088 0.00 0.00 -0.245 OA ATOM 17 C LIG 1 -6.818 0.895 2.506 0.00 0.00 +0.337 C BRANCH 17 18 ATOM 18 O LIG 1 -7.801 1.766 2.820 0.00 0.00 -0.477 OA ATOM 19 H LIG 1 -7.724 2.632 2.378 0.00 0.00 +0.295 HD ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 2 20 ATOM 20 O LIG 1 -0.457 -0.822 -0.450 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 0.089 -1.745 -1.391 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 -1.042 -2.485 -2.071 0.00 0.00 -0.010 A ATOM 23 C LIG 1 -2.125 -2.984 -1.327 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -3.153 -3.688 -1.956 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -3.096 -3.905 -3.326 0.00 0.00 +0.123 A ATOM 26 F LIG 1 -4.081 -4.583 -3.930 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -2.029 -3.433 -4.081 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -1.000 -2.727 -3.454 0.00 0.00 +0.010 A ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 4 29 ATOM 29 O LIG 1 3.961 0.839 0.929 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 4.651 0.007 0.001 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 6.131 0.258 0.159 0.00 0.00 -0.010 A ATOM 32 C LIG 1 6.768 1.256 -0.596 0.00 0.00 +0.010 A ATOM 33 C LIG 1 8.133 1.496 -0.438 0.00 0.00 +0.039 A ATOM 34 C LIG 1 8.860 0.748 0.480 0.00 0.00 +0.123 A ATOM 35 F LIG 1 10.171 0.980 0.631 0.00 0.00 -0.205 F ATOM 36 C LIG 1 8.246 -0.234 1.248 0.00 0.00 +0.039 A ATOM 37 C LIG 1 6.881 -0.477 1.092 0.00 0.00 +0.010 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 11