REMARK Name = BDB000718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.461 -2.160 0.963 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -1.772 -1.871 1.026 0.00 0.00 +0.008 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.428 -0.633 0.587 0.00 0.00 -0.020 A ATOM 4 C LIG 1 -2.011 0.624 1.043 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -2.675 1.773 0.621 0.00 0.00 +0.127 A ATOM 6 F LIG 1 -2.264 2.969 1.061 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -3.759 1.701 -0.242 0.00 0.00 +0.076 A ATOM 8 C LIG 1 -4.178 0.453 -0.680 0.00 0.00 +0.127 A ATOM 9 F LIG 1 -5.226 0.364 -1.508 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -3.530 -0.711 -0.271 0.00 0.00 +0.046 A ENDBRANCH 2 3 BRANCH 1 14 ATOM 11 C LIG 1 2.699 0.248 -0.632 0.00 0.00 +0.120 A ATOM 12 C LIG 1 1.600 -0.084 -1.427 0.00 0.00 +0.046 A ATOM 13 C LIG 1 0.561 -0.867 -0.918 0.00 0.00 +0.011 A ATOM 14 C LIG 1 0.604 -1.322 0.403 0.00 0.00 -0.025 A ATOM 15 C LIG 1 1.712 -1.002 1.194 0.00 0.00 +0.011 A ATOM 16 C LIG 1 2.753 -0.217 0.682 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 4.768 1.407 -0.477 0.00 0.00 +0.277 C ATOM 18 O LIG 1 3.642 1.019 -1.253 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 TORSDOF 3