REMARK Name = BDB000561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.857 -0.856 -2.357 0.00 0.00 -0.283 OA ATOM 2 C LIG 1 -0.807 -0.854 -1.129 0.00 0.00 +0.237 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.893 -0.259 -0.308 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.806 -0.057 1.075 0.00 0.00 +0.131 A ATOM 5 C LIG 1 -2.878 0.501 1.776 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -4.036 0.860 1.095 0.00 0.00 +0.120 A ATOM 7 C LIG 1 -4.144 0.677 -0.278 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -3.071 0.119 -0.977 0.00 0.00 +0.019 A BRANCH 4 9 ATOM 9 O LIG 1 -0.669 -0.377 1.760 0.00 0.00 -0.506 OA ATOM 10 H LIG 1 -0.828 -0.277 2.715 0.00 0.00 +0.292 HD ENDBRANCH 4 9 BRANCH 6 11 ATOM 11 O LIG 1 -5.055 1.401 1.821 0.00 0.00 -0.507 OA ATOM 12 H LIG 1 -5.800 1.587 1.226 0.00 0.00 +0.292 HD ENDBRANCH 6 11 ENDBRANCH 2 3 BRANCH 2 13 ATOM 13 C LIG 1 0.362 -1.545 -0.479 0.00 0.00 +0.237 C ATOM 14 O LIG 1 0.198 -2.702 -0.097 0.00 0.00 -0.283 OA BRANCH 13 15 ATOM 15 C LIG 1 1.683 -0.873 -0.374 0.00 0.00 +0.067 A ATOM 16 C LIG 1 1.886 0.491 -0.614 0.00 0.00 +0.131 A ATOM 17 C LIG 1 3.165 1.046 -0.505 0.00 0.00 +0.091 A ATOM 18 C LIG 1 4.239 0.236 -0.152 0.00 0.00 +0.120 A ATOM 19 C LIG 1 4.062 -1.119 0.099 0.00 0.00 +0.046 A ATOM 20 C LIG 1 2.783 -1.671 -0.011 0.00 0.00 +0.019 A BRANCH 16 21 ATOM 21 O LIG 1 0.842 1.311 -0.936 0.00 0.00 -0.506 OA ATOM 22 H LIG 1 1.183 2.190 -1.176 0.00 0.00 +0.292 HD ENDBRANCH 16 21 BRANCH 18 23 ATOM 23 O LIG 1 5.467 0.821 -0.057 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 6.121 0.141 0.179 0.00 0.00 +0.292 HD ENDBRANCH 18 23 ENDBRANCH 13 15 ENDBRANCH 2 13 TORSDOF 7