REMARK Name = BDB057575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 5.511 -0.816 -0.449 0.00 0.00 -0.060 Cl ATOM 2 C LIG 1 3.851 -0.469 -0.224 0.00 0.00 +0.152 A ATOM 3 N LIG 1 3.114 -0.386 -1.343 0.00 0.00 -0.136 NA ATOM 4 N LIG 1 1.768 -0.106 -1.241 0.00 0.00 -0.133 NA ATOM 5 C LIG 1 1.170 0.069 -0.039 0.00 0.00 +0.144 A ATOM 6 C LIG 1 1.948 -0.008 1.116 0.00 0.00 +0.048 A ATOM 7 C LIG 1 3.311 -0.285 1.028 0.00 0.00 +0.045 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -0.205 0.368 0.059 0.00 0.00 -0.311 N ATOM 9 C LIG 1 -0.818 0.665 -1.255 0.00 0.00 +0.121 C ATOM 10 C LIG 1 -2.305 1.048 -1.083 0.00 0.00 +0.100 C ATOM 11 N LIG 1 -3.094 0.022 -0.369 0.00 0.00 -0.313 NA ATOM 12 H LIG 1 -3.059 -0.839 -0.917 0.00 0.00 +0.122 HD ATOM 13 C LIG 1 -2.454 -0.235 0.936 0.00 0.00 +0.100 C ATOM 14 C LIG 1 -0.964 -0.639 0.833 0.00 0.00 +0.121 C ENDBRANCH 5 8 TORSDOF 1