REMARK Name = BDB050067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 -2.618 -3.924 -0.311 0.00 0.00 -0.060 Cl ATOM 2 C LIG 1 -2.903 -2.232 -0.114 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -1.850 -1.481 -0.167 0.00 0.00 -0.153 NA ATOM 4 N LIG 1 -2.108 -0.147 -0.007 0.00 0.00 -0.211 N ATOM 5 C LIG 1 -3.362 0.418 0.196 0.00 0.00 +0.155 A ATOM 6 N LIG 1 -3.303 1.722 0.315 0.00 0.00 -0.234 NA ATOM 7 C LIG 1 -1.975 2.020 0.186 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -4.478 -0.447 0.245 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -1.182 0.894 -0.017 0.00 0.00 +0.093 A ATOM 10 C LIG 1 -4.295 -1.762 0.096 0.00 0.00 +0.045 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 0.285 0.804 -0.199 0.00 0.00 +0.003 A ATOM 12 C LIG 1 0.962 -0.412 -0.397 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.364 -0.448 -0.566 0.00 0.00 +0.000 A ATOM 14 C LIG 1 3.075 0.748 -0.535 0.00 0.00 +0.046 A ATOM 15 N LIG 1 4.403 0.437 -0.723 0.00 0.00 -0.361 N ATOM 16 H LIG 1 5.152 1.114 -0.746 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 4.555 -0.916 -0.871 0.00 0.00 +0.083 A ATOM 18 C LIG 1 2.453 1.980 -0.343 0.00 0.00 +0.027 A ATOM 19 C LIG 1 3.308 -1.491 -0.779 0.00 0.00 +0.027 A ATOM 20 C LIG 1 1.059 1.980 -0.177 0.00 0.00 +0.012 A ENDBRANCH 9 11 TORSDOF 1