REMARK Name = BDB062586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.785 0.305 0.267 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.255 -0.868 -0.294 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -0.884 -1.147 -0.257 0.00 0.00 +0.053 A ATOM 4 C LIG 1 0.005 -0.245 0.335 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -0.503 0.922 0.912 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -1.876 1.188 0.872 0.00 0.00 +0.124 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -5.106 -0.382 1.032 0.00 0.00 +0.012 C ATOM 8 C LIG 1 -4.273 0.630 0.239 0.00 0.00 +0.020 C ATOM 9 C LIG 1 -4.809 0.800 -1.186 0.00 0.00 +0.012 C ENDBRANCH 1 8 BRANCH 2 10 ATOM 10 O LIG 1 -3.094 -1.769 -0.891 0.00 0.00 -0.506 OA ATOM 11 H LIG 1 -2.574 -2.510 -1.240 0.00 0.00 +0.292 HD ENDBRANCH 2 10 BRANCH 4 12 ATOM 12 C LIG 1 1.435 -0.578 0.380 0.00 0.00 +0.009 C ATOM 13 C LIG 1 2.409 0.311 0.126 0.00 0.00 +0.008 C BRANCH 13 14 ATOM 14 C LIG 1 3.843 -0.011 0.170 0.00 0.00 -0.025 A ATOM 15 C LIG 1 4.738 0.955 0.648 0.00 0.00 +0.008 A ATOM 16 C LIG 1 6.111 0.700 0.681 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.605 -0.520 0.225 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.727 -1.483 -0.269 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.353 -1.227 -0.301 0.00 0.00 +0.008 A ENDBRANCH 13 14 ENDBRANCH 4 12 BRANCH 6 20 ATOM 20 O LIG 1 -2.343 2.341 1.445 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -1.599 2.830 1.831 0.00 0.00 +0.292 HD ENDBRANCH 6 20 TORSDOF 5