REMARK Name = BDB000706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.478 -0.409 -0.462 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -1.369 0.240 0.305 0.00 0.00 +0.008 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.822 0.035 0.229 0.00 0.00 -0.020 A ATOM 4 C LIG 1 -3.580 0.117 1.404 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -4.963 -0.047 1.358 0.00 0.00 +0.127 A ATOM 6 F LIG 1 -5.670 0.026 2.494 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -5.620 -0.282 0.161 0.00 0.00 +0.076 A ATOM 8 C LIG 1 -4.871 -0.346 -1.004 0.00 0.00 +0.127 A ATOM 9 F LIG 1 -5.490 -0.561 -2.173 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -3.486 -0.186 -0.985 0.00 0.00 +0.046 A ENDBRANCH 2 3 BRANCH 1 14 ATOM 11 C LIG 1 3.774 0.133 -0.298 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.114 -0.038 -1.516 0.00 0.00 +0.046 A ATOM 13 C LIG 1 1.727 -0.209 -1.560 0.00 0.00 +0.011 A ATOM 14 C LIG 1 0.974 -0.198 -0.381 0.00 0.00 -0.025 A ATOM 15 C LIG 1 1.641 -0.041 0.840 0.00 0.00 +0.011 A ATOM 16 C LIG 1 3.032 0.128 0.882 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 5.846 0.474 0.816 0.00 0.00 +0.277 C ATOM 18 O LIG 1 5.129 0.289 -0.398 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 TORSDOF 3