REMARK Name = BDB063767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.365 -0.157 0.428 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.319 -1.380 1.352 0.00 0.00 -0.001 A ATOM 3 C LIG 1 1.473 -2.729 0.973 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 1.765 -3.253 -0.646 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 1.395 -3.751 1.929 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.153 -3.445 3.259 0.00 0.00 +0.125 A ATOM 7 F LIG 1 1.082 -4.430 4.163 0.00 0.00 -0.205 F ATOM 8 C LIG 1 0.984 -2.133 3.666 0.00 0.00 +0.039 A ATOM 9 C LIG 1 1.061 -1.110 2.721 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 C LIG 1 -0.971 -0.297 -0.417 0.00 0.00 +0.221 C ATOM 11 N LIG 1 0.028 0.461 0.203 0.00 0.00 -0.257 N ATOM 12 O LIG 1 -0.900 -1.522 -0.528 0.00 0.00 -0.275 OA BRANCH 11 13 ATOM 13 C LIG 1 -0.143 1.825 0.585 0.00 0.00 +0.037 A ATOM 14 C LIG 1 0.812 2.793 0.244 0.00 0.00 +0.025 A ATOM 15 C LIG 1 0.653 4.123 0.646 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -0.457 4.491 1.402 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -0.649 6.125 1.901 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -1.407 3.539 1.761 0.00 0.00 +0.022 A ATOM 19 C LIG 1 -1.248 2.210 1.356 0.00 0.00 +0.025 A ENDBRANCH 11 13 BRANCH 10 20 ATOM 20 C LIG 1 -2.170 0.448 -0.999 0.00 0.00 +0.097 C BRANCH 20 21 ATOM 21 C LIG 1 -2.883 -0.376 -2.078 0.00 0.00 +0.020 C BRANCH 21 22 ATOM 22 C LIG 1 -4.018 0.394 -2.744 0.00 0.00 +0.121 C BRANCH 22 23 ATOM 23 C LIG 1 -5.184 0.584 -1.808 0.00 0.00 +0.307 C ATOM 24 O LIG 1 -5.288 1.519 -1.025 0.00 0.00 -0.251 OA BRANCH 23 26 ATOM 25 C LIG 1 -7.196 -0.347 -1.060 0.00 0.00 +0.280 C ATOM 26 O LIG 1 -6.071 -0.439 -1.935 0.00 0.00 -0.468 OA ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 1 27 ATOM 27 C LIG 1 2.177 -0.221 -0.878 0.00 0.00 +0.188 C ATOM 28 O LIG 1 1.688 0.067 -1.974 0.00 0.00 -0.290 OA BRANCH 27 29 ATOM 29 C LIG 1 3.646 -0.531 -0.834 0.00 0.00 +0.020 A ATOM 30 C LIG 1 4.289 -0.826 -2.048 0.00 0.00 +0.013 A ATOM 31 C LIG 1 5.654 -1.125 -2.079 0.00 0.00 +0.020 A ATOM 32 C LIG 1 6.386 -1.126 -0.897 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 8.066 -1.492 -0.928 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 5.765 -0.829 0.315 0.00 0.00 +0.020 A ATOM 35 C LIG 1 4.397 -0.529 0.349 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10