REMARK Name = BDB055329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 -5.259 -0.429 0.354 0.00 0.00 -0.082 Cl ATOM 2 C LIG 1 -3.540 -0.282 0.276 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -2.775 0.186 1.348 0.00 0.00 +0.060 A ATOM 4 CL LIG 1 -3.482 0.659 2.853 0.00 0.00 -0.082 Cl ATOM 5 C LIG 1 -1.383 0.284 1.224 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -0.732 -0.083 0.034 0.00 0.00 -0.016 A ATOM 7 C LIG 1 -1.518 -0.551 -1.031 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -2.908 -0.650 -0.913 0.00 0.00 +0.022 A ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 0.731 0.021 -0.092 0.00 0.00 -0.016 A ATOM 10 C LIG 1 1.398 1.227 0.186 0.00 0.00 +0.030 A ATOM 11 C LIG 1 2.790 1.330 0.067 0.00 0.00 +0.060 A ATOM 12 CL LIG 1 3.515 2.856 0.428 0.00 0.00 -0.082 Cl ATOM 13 C LIG 1 3.539 0.221 -0.333 0.00 0.00 +0.059 A ATOM 14 CL LIG 1 5.257 0.271 -0.501 0.00 0.00 -0.082 Cl ATOM 15 C LIG 1 2.893 -0.984 -0.612 0.00 0.00 +0.022 A ATOM 16 C LIG 1 1.502 -1.082 -0.493 0.00 0.00 +0.010 A ENDBRANCH 6 9 TORSDOF 1