REMARK Name = BDB065198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.181 -0.761 -0.411 0.00 0.00 +0.063 A ATOM 2 C LIG 1 -1.780 -0.831 -0.465 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.982 0.212 0.035 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -1.624 1.331 0.592 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -3.016 1.394 0.641 0.00 0.00 +0.118 A ATOM 6 C LIG 1 -3.800 0.360 0.147 0.00 0.00 +0.060 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.487 0.134 -0.023 0.00 0.00 -0.018 A ATOM 8 C LIG 1 1.270 0.305 1.130 0.00 0.00 +0.012 A ATOM 9 C LIG 1 2.669 0.232 1.080 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.316 -0.013 -0.130 0.00 0.00 +0.130 A ATOM 11 C LIG 1 2.548 -0.185 -1.283 0.00 0.00 +0.046 A ATOM 12 C LIG 1 1.152 -0.114 -1.232 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 4.663 -0.108 -0.328 0.00 0.00 -0.406 OA BRANCH 13 14 ATOM 14 C LIG 1 5.510 0.062 0.796 0.00 0.00 +0.575 C ATOM 15 F LIG 1 6.794 -0.063 0.393 0.00 0.00 -0.133 F ATOM 16 F LIG 1 5.272 -0.880 1.734 0.00 0.00 -0.133 F ATOM 17 F LIG 1 5.359 1.289 1.339 0.00 0.00 -0.133 F ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 18 O LIG 1 -3.494 -2.895 -1.476 0.00 0.00 -0.245 OA ATOM 19 C LIG 1 -3.960 -1.897 -0.958 0.00 0.00 +0.337 C BRANCH 19 20 ATOM 20 O LIG 1 -5.288 -1.732 -0.831 0.00 0.00 -0.477 OA ATOM 21 H LIG 1 -5.667 -2.545 -1.226 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 5 22 ATOM 22 O LIG 1 -3.657 2.474 1.173 0.00 0.00 -0.507 OA ATOM 23 H LIG 1 -2.996 3.127 1.459 0.00 0.00 +0.292 HD ENDBRANCH 5 22 TORSDOF 6