REMARK Name = BDB037848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.297 2.209 0.694 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.145 1.098 0.619 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.733 -0.192 0.350 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.847 -1.026 0.648 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.887 -0.269 1.047 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.659 -0.510 -0.087 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.593 0.522 0.594 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.526 1.007 0.735 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.075 1.982 0.472 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.876 2.911 0.303 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.550 1.925 0.375 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -3.326 2.903 -0.603 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.362 3.760 -0.981 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -5.623 3.633 -0.400 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -5.858 2.642 0.552 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.829 1.780 0.933 0.00 0.00 +0.028 A ENDBRANCH 8 11 BRANCH 4 17 ATOM 17 C LIG 1 -1.886 -2.506 0.632 0.00 0.00 +0.268 C ATOM 18 N LIG 1 -3.111 -3.168 0.449 0.00 0.00 -0.284 N ATOM 19 C LIG 1 -3.112 -4.617 0.623 0.00 0.00 +0.133 C ATOM 20 O LIG 1 -0.846 -3.146 0.786 0.00 0.00 -0.268 OA BRANCH 18 21 ATOM 21 C LIG 1 -4.319 -2.538 -0.133 0.00 0.00 +0.176 C ATOM 22 C LIG 1 -5.403 -2.354 0.932 0.00 0.00 +0.044 C BRANCH 21 23 ATOM 23 C LIG 1 -4.867 -3.299 -1.284 0.00 0.00 +0.085 C ATOM 24 N LIG 1 -5.298 -3.898 -2.182 0.00 0.00 -0.195 NA ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 4 17 BRANCH 7 25 ATOM 25 N LIG 1 2.987 0.493 0.144 0.00 0.00 -0.299 N ATOM 26 H LIG 1 3.315 1.322 -0.337 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 3.838 -0.534 0.469 0.00 0.00 +0.245 C ATOM 28 O LIG 1 3.470 -1.542 1.059 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 5.258 -0.391 0.043 0.00 0.00 +0.037 A ATOM 30 C LIG 1 6.002 -1.560 -0.175 0.00 0.00 +0.025 A ATOM 31 C LIG 1 7.348 -1.492 -0.572 0.00 0.00 +0.056 A ATOM 32 C LIG 1 7.936 -0.232 -0.754 0.00 0.00 +0.012 A ATOM 33 C LIG 1 7.204 0.934 -0.522 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.870 0.857 -0.120 0.00 0.00 +0.013 A BRANCH 31 35 ATOM 35 C LIG 1 8.130 -2.756 -0.833 0.00 0.00 +0.417 C ATOM 36 F LIG 1 9.478 -2.582 -0.735 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.907 -3.250 -2.082 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.823 -3.763 0.031 0.00 0.00 -0.166 F ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 7 25 BRANCH 6 39 ATOM 39 C LIG 1 0.891 -0.577 -1.592 0.00 0.00 -0.001 C ATOM 40 C LIG 1 -0.194 -0.933 -2.583 0.00 0.00 +0.004 C ATOM 41 C LIG 1 0.371 0.461 -2.559 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.246 3.727 2.646 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.660 3.536 1.191 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 9