REMARK Name = BDB059058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.689 0.512 0.724 0.00 0.00 +0.060 C ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 -4.298 -1.192 -1.649 0.00 0.00 +0.152 C ATOM 3 N LIG 1 -3.060 -0.771 -1.014 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -2.881 -0.999 0.347 0.00 0.00 +0.251 A ATOM 5 O LIG 1 -3.700 -1.536 1.088 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 -1.582 -0.543 0.915 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -0.646 0.042 0.145 0.00 0.00 -0.033 A ATOM 8 C LIG 1 -0.922 0.226 -1.269 0.00 0.00 +0.022 A ATOM 9 C LIG 1 -2.087 -0.174 -1.793 0.00 0.00 +0.089 A ENDBRANCH 1 7 BRANCH 1 10 ATOM 10 C LIG 1 1.872 -0.202 0.061 0.00 0.00 -0.039 A ATOM 11 C LIG 1 2.158 -1.528 0.436 0.00 0.00 +0.005 A ATOM 12 C LIG 1 3.216 -2.229 -0.148 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.999 -1.613 -1.119 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 5.301 -2.473 -1.841 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 3.731 -0.305 -1.511 0.00 0.00 +0.020 A ATOM 16 C LIG 1 2.671 0.397 -0.927 0.00 0.00 +0.005 A ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 0.804 2.049 0.730 0.00 0.00 +0.133 C BRANCH 17 18 ATOM 18 C LIG 1 -0.170 2.670 1.692 0.00 0.00 +0.306 C ATOM 19 O LIG 1 -0.582 2.191 2.734 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 -0.541 3.909 1.313 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 -1.155 4.203 2.019 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 5