REMARK Name = BDB000565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.207 -0.336 -1.526 0.00 0.00 -0.283 OA ATOM 2 C LIG 1 -0.399 -0.056 -0.502 0.00 0.00 +0.239 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.860 -0.034 -0.459 0.00 0.00 +0.102 A ATOM 4 C LIG 1 -2.550 -0.833 0.447 0.00 0.00 +0.175 A ATOM 5 F LIG 1 -1.884 -1.649 1.276 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -3.940 -0.811 0.476 0.00 0.00 +0.197 A ATOM 7 F LIG 1 -4.603 -1.587 1.343 0.00 0.00 -0.199 F ATOM 8 C LIG 1 -4.641 0.007 -0.402 0.00 0.00 +0.199 A ATOM 9 F LIG 1 -5.980 0.027 -0.375 0.00 0.00 -0.199 F ATOM 10 C LIG 1 -3.952 0.802 -1.310 0.00 0.00 +0.197 A ATOM 11 F LIG 1 -4.627 1.594 -2.154 0.00 0.00 -0.199 F ATOM 12 C LIG 1 -2.561 0.781 -1.341 0.00 0.00 +0.175 A ATOM 13 F LIG 1 -1.908 1.568 -2.207 0.00 0.00 -0.202 F ENDBRANCH 2 3 BRANCH 2 14 ATOM 14 C LIG 1 0.377 0.298 0.751 0.00 0.00 +0.236 C ATOM 15 O LIG 1 -0.188 0.743 1.738 0.00 0.00 -0.283 OA BRANCH 14 16 ATOM 16 C LIG 1 1.838 0.135 0.718 0.00 0.00 +0.065 A ATOM 17 C LIG 1 2.401 -1.119 0.989 0.00 0.00 +0.073 A ATOM 18 CL LIG 1 1.365 -2.462 1.366 0.00 0.00 -0.081 Cl ATOM 19 C LIG 1 3.797 -1.271 0.953 0.00 0.00 +0.080 A ATOM 20 CL LIG 1 4.509 -2.824 1.292 0.00 0.00 -0.080 Cl ATOM 21 C LIG 1 4.617 -0.167 0.645 0.00 0.00 +0.080 A ATOM 22 CL LIG 1 6.349 -0.354 0.604 0.00 0.00 -0.080 Cl ATOM 23 C LIG 1 4.039 1.088 0.370 0.00 0.00 +0.080 A ATOM 24 CL LIG 1 5.049 2.454 -0.015 0.00 0.00 -0.080 Cl ATOM 25 C LIG 1 2.642 1.239 0.404 0.00 0.00 +0.073 A ATOM 26 CL LIG 1 1.899 2.770 0.047 0.00 0.00 -0.081 Cl ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 3