REMARK Name = BDB000567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.380 0.294 -0.444 0.00 0.00 +0.215 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.885 0.138 -0.286 0.00 0.00 -0.011 A ATOM 3 C LIG 1 2.654 1.224 0.161 0.00 0.00 +0.010 A ATOM 4 C LIG 1 4.047 1.126 0.275 0.00 0.00 +0.046 A ATOM 5 C LIG 1 4.697 -0.058 -0.065 0.00 0.00 +0.120 A ATOM 6 C LIG 1 3.943 -1.139 -0.522 0.00 0.00 +0.046 A ATOM 7 C LIG 1 2.553 -1.044 -0.638 0.00 0.00 +0.010 A BRANCH 5 8 ATOM 8 O LIG 1 6.044 -0.285 -0.002 0.00 0.00 -0.495 OA ATOM 9 C LIG 1 6.851 0.773 0.499 0.00 0.00 +0.277 C ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C LIG 1 -0.470 -0.833 0.182 0.00 0.00 +0.196 C ATOM 11 O LIG 1 0.012 -1.850 0.681 0.00 0.00 -0.289 OA BRANCH 10 15 ATOM 12 C LIG 1 -4.774 -0.479 0.338 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -4.113 -1.559 0.922 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -2.720 -1.661 0.860 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -1.963 -0.677 0.210 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -2.629 0.406 -0.375 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -4.027 0.503 -0.312 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -6.858 0.570 -0.125 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -6.134 -0.501 0.469 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 1 20 ATOM 20 O LIG 1 0.097 0.460 -1.831 0.00 0.00 -0.379 OA ATOM 21 H LIG 1 0.701 -0.127 -2.320 0.00 0.00 +0.211 HD ENDBRANCH 1 20 TORSDOF 6