REMARK Name = BDB002269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.188 0.487 -1.084 0.00 0.00 +0.018 C ATOM 2 C LIG 1 -2.252 -0.002 -0.421 0.00 0.00 +0.015 C ATOM 3 C LIG 1 -2.320 -0.750 0.839 0.00 0.00 +0.069 C ATOM 4 CL LIG 1 -1.014 -1.211 1.823 0.00 0.00 -0.081 Cl ATOM 5 C LIG 1 -3.616 -1.012 1.082 0.00 0.00 +0.080 C ATOM 6 CL LIG 1 -4.249 -1.858 2.419 0.00 0.00 -0.080 Cl ATOM 7 C LIG 1 -4.431 -0.460 0.018 0.00 0.00 +0.080 C ATOM 8 CL LIG 1 -6.129 -0.578 -0.045 0.00 0.00 -0.080 Cl ATOM 9 C LIG 1 -3.638 0.142 -0.881 0.00 0.00 +0.069 C ATOM 10 CL LIG 1 -4.127 0.936 -2.304 0.00 0.00 -0.081 Cl ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.369 0.104 0.429 0.00 0.00 +0.044 C ATOM 12 C LIG 1 2.919 0.191 0.057 0.00 0.00 -0.050 A ATOM 13 C LIG 1 2.145 1.283 0.469 0.00 0.00 +0.004 A ATOM 14 C LIG 1 0.801 1.378 0.099 0.00 0.00 +0.008 A ATOM 15 C LIG 1 0.218 0.385 -0.693 0.00 0.00 -0.024 A ATOM 16 C LIG 1 0.992 -0.697 -1.124 0.00 0.00 +0.008 A ATOM 17 C LIG 1 2.335 -0.791 -0.753 0.00 0.00 +0.004 A ENDBRANCH 1 15 TORSDOF 1