REMARK Name = BDB065125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.948 -0.276 0.650 0.00 0.00 +0.064 C ATOM 2 C LIG 1 1.285 1.230 0.880 0.00 0.00 +0.127 C ATOM 3 C LIG 1 0.552 2.149 -0.100 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -0.984 2.019 -0.146 0.00 0.00 -0.005 C ATOM 5 C LIG 1 -1.439 2.858 -1.357 0.00 0.00 +0.008 C ATOM 6 C LIG 1 -1.558 0.551 -0.094 0.00 0.00 -0.023 C ATOM 7 C LIG 1 -1.715 -0.074 -1.498 0.00 0.00 +0.012 C ATOM 8 C LIG 1 1.667 -1.274 1.707 0.00 0.00 +0.091 C ATOM 9 C LIG 1 0.729 -1.583 2.897 0.00 0.00 +0.037 C ATOM 10 C LIG 1 -0.560 -2.281 2.444 0.00 0.00 +0.003 C ATOM 11 C LIG 1 -1.078 -1.786 1.089 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -0.632 -0.331 0.857 0.00 0.00 +0.010 C ENDROOT BRANCH 2 13 ATOM 13 O LIG 1 2.678 1.500 0.753 0.00 0.00 -0.391 OA ATOM 14 H LIG 1 2.810 2.465 0.775 0.00 0.00 +0.210 HD ENDBRANCH 2 13 BRANCH 8 15 ATOM 15 C LIG 1 3.046 -0.779 2.215 0.00 0.00 +0.144 C ATOM 16 CL LIG 1 3.896 -2.007 3.219 0.00 0.00 -0.122 Cl ENDBRANCH 8 15 BRANCH 8 17 ATOM 17 O LIG 1 1.869 -2.560 1.067 0.00 0.00 -0.387 OA ATOM 18 H LIG 1 2.470 -3.075 1.640 0.00 0.00 +0.210 HD ENDBRANCH 8 17 BRANCH 1 19 ATOM 19 C LIG 1 1.375 -0.707 -0.793 0.00 0.00 +0.245 C BRANCH 19 20 ATOM 20 O LIG 1 2.802 -0.799 -0.939 0.00 0.00 -0.461 OA BRANCH 20 21 ATOM 21 C LIG 1 3.213 -1.106 -2.196 0.00 0.00 +0.335 C ATOM 22 O LIG 1 2.479 -1.261 -3.163 0.00 0.00 -0.245 OA BRANCH 21 25 ATOM 23 C LIG 1 6.718 -1.363 -3.812 0.00 0.00 +0.036 C ATOM 24 C LIG 1 5.266 -1.267 -3.470 0.00 0.00 -0.020 C ATOM 25 C LIG 1 4.706 -1.213 -2.244 0.00 0.00 +0.029 C ATOM 26 C LIG 1 5.441 -1.280 -0.941 0.00 0.00 +0.051 C ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 6 27 ATOM 27 C LIG 1 -3.013 0.526 0.572 0.00 0.00 +0.043 C BRANCH 27 28 ATOM 28 C LIG 1 -4.108 1.504 0.101 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 C LIG 1 -5.494 1.175 0.563 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -6.643 1.967 0.062 0.00 0.00 +0.266 C ATOM 31 O LIG 1 -7.783 1.375 0.686 0.00 0.00 -0.457 OA ATOM 32 C LIG 1 -7.375 0.350 1.478 0.00 0.00 +0.332 C ATOM 33 O LIG 1 -8.092 -0.359 2.159 0.00 0.00 -0.246 OA ATOM 34 C LIG 1 -5.922 0.223 1.392 0.00 0.00 +0.096 C ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 O LIG 1 -3.838 2.812 0.590 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 -3.820 2.769 1.562 0.00 0.00 +0.210 HD ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 11